Curriculum Vitae
Dr. Zhongfang CHEN
Department of Chemistry
University of Puerto Rico
San Juan, PR 00923, USA
EDUCATION
1997.9 – 2000.7
1994.9 − 1997.7
1990.9  1994.7
Tel: 787-764-0000 Ext. 3119
Email: zhongfangchen@gmail.com
Homepage: http://chemistry.uprrp.edu/chen/
Ph. D. in Physical Chemistry, Dept. of Chemistry, Nankai University, P. R. China
Supervisor: Prof. Auchin Tang and Prof. Xuezhuang Zhao
“Quantum Chemical Computations on Heterofullerens and Fullerene Derivatives”
M. S. in Physical Chemistry, Dept. of Chemistry, Nankai University, P. R. China,
Supervisor: Prof. Xuezhuang Zhao
“Preparation of Fullerenes and Synthesis of Fullerene Derivatives”
B. S. in Organic Chemistry, Dept. of Chemistry, Nankai University, P. R. China
PROFESSIONAL EXPERIENCE
2008.8Associate Professor, Department of Chemistry, University of Puerto Rico, Río
Piedras campus
2008.1-2008.7
Research Associate Professor, Department of Physics, Applied Physics, and
Astronomy, Rensselaer Polytechnic Institute
2006.1-2007.12
Associate Research Scientist, Department of Chemistry, University of Georgia
Postdoc, Department of Chemistry, Center for Computational Chemistry, University
2003.10 − 2005.12
of Georgia, with Prof. Paul von Ragué Schleyer
2002.10 – 2003.9
Postdoc, Institut für Organische Chemie, Universität Erlangen-Nürnberg, Germany,
with Prof. Andreas Hirsch and Prof. Paul von Ragué Schleyer
2001.04 – 2002.9
Humboldt Fellow, Institut für Organische Chemie, Universität Erlangen-Nürnberg,
Germany, with Prof. Andreas Hirsch
Postdoc, Max-Planck-Institut für Kohlenforschung, Mülheim an der Ruhr, Germany,
2000.04 − 2001.03
with Prof. Walter Thiel
Humboldt Fellow, Institut für Organische Chemie, Universität Erlangen-Nürnberg,
1999.12 − 2000.02
Germany, with Prof. Andreas Hirsch
TEACHING EXPERIENCE
2011.6
Instructor, Short Course “Molecular Structure and Chemical Bonding”, (45
minutes/each, 18 lectures), University o Science and Technology of China.
2011.9Director of Graduate Seminars, Department of Chemistry, University of
Puerto Rico
2011- , spring semester
Instructor, “Advanced Physical Chemistry”, Department of Chemistry,
University of Puerto Rico
2009.1- , fall semester
Instructor, “Molecular Structure and Chemical Bonding”, Department of
Chemistry, University of Puerto Rico
2009-2010, spring semester Instructor, “Computational Nanotechnology” (at graduate level, spring
semester), Department of Chemistry, University of Puerto Rico
2008.1 – 2008.5
Organizing the Condensed Matters and Optics Physics Graduate Student
Seminar, Department of Physics, Applied Physics, and Astronomy,
Rensselaer Polytechnic Institute
Helping mentor graduate students of Prof. Schleyer group at University of
2003.10 −2007.12
Georgia
2005.1 – 2005.5
Instructor, Computational Chemistry (CHEM 8990, at graduate level),
Department of Chemistry, University of Georgia
Guest lecturer, “Stereochemistry and Conformations” (CHEM 8300, at
2004.8 − 2004.12
graduate level), Department of Chemistry, University of Georgia
1997.9 – 1998. 1
1995. 9 – 1996.1
Teaching Assistant, Advanced Physical Chemistry Experiment, Department
of Chemistry, Nankai University
Teaching Assistant, Advanced Physical Chemistry Experiment, Department
of Chemistry, Nankai University
RECENT HONORS and AWARDS
2012-2017
National Distinguished Overseas Expert, The 111 Plan of Attracting Talents, China
2012-2014
"Haitian Scholar" and "Visiting Professor", Dalian University of Technology, Dalian, China
2009-2012
"Haitian Scholar" and "Visiting Professor", Dalian University of Technology, Dalian, China
2007
Short-term Fellowship, International Center for Young Scientists, National Institute for Materials
Science, Tsukuba, Japan
2004
Guest professorship, Tianjin Normal University, Tianjin, China
1999
Max-Planck-Institute Postdoctoral Fellowship, Germany
1999
Alexander von Humboldt Fellowship, Germany
1999
Special-grade Scholarship of Nankai University (the highest prize that the students in Nankai
University can be awarded within the university), P.R. China
1998
Yang Shixian Scholarship, Nankai University (the highest prize for the students in College of
Chemistry in Nankai University), P.R. China
1996
Guanghua Fellowship, Nankai University, P.R. China
1994
Excellent Student Honor, Nankai University, P.R. China
CURRENT MAIN RESEARCH TOPICS
¾ Carbon and inorganic nanographenes - Towards molecular electronics, nano-devices and renewable
energy
¾ Nanocatalysis, especially for CO oxidation and CO2 conversion
¾ Computational nanotoxicitys - Towards understanding and predicting nano-safety and toxicity
RECENT RESEARCH TOPICS
¾ One-dimensional nanomaterials (nanotubes, nanocables, peapods, etc)
¾ Novel materials for hydrogen and lithium storage
¾ Endohedral metallofullerenes and related endohedral clusters
¾ Molecules with novel bonding patterns
— Planar hypercoordinate carbon and other elements
— Novel aromaticity
PUBLICATIONS (see the publication-list for details)
¾ 161 publications, including Chem. Rev. (3), J. Am. Chem. Soc. (15), Angew. Chem. Int. Ed. (7) and Phys.
Rev. Lett. (2), Nano Lett. (1) and ACS Nano (3).
¾ 50 first-authored, 78 correspondence-authored, over 4000 total citations, h-index 35.
¾ Nine papers were highlighted by news media (Chem. & Eng. News and/or Nachrichten aus der Chemie,
Nature China); nine were highlighted as cover pictures of scientific journals (ChemPhysChem, J.
Comput. Chem., J. Phys. Chem. A, J. Phys. Chem. C., PCCP, J. Chem. Theory Comput., Naoscale), one
as the frontispiece (Chem. Eur. J.); one article was featured by Nature Chemistry; Two articles in Chem.
Rev. were ranked as “hot paper”, “most-cited” or “most-accessed article” by ACS publications; four
papers (J. Phys. Chem. C. 2009, 113, 15403, and three papers in Chem. Rev.) were ranked as Highly
Cited Papers by Essential Science Indicators of Web of Science.
RESEARCH PROPOSALS
Grants Approved (before joining UPR)
¾ Co-PI, Computational Exploration of Molecules with Unconventional Structures
National Scientific Foundation (CHE-0716718), $375,000, September 2007-August 2010
¾ PI, short-term fellowship (three months) and ca. $ 5000 research fund, International Center for Young
¾
Scientists, National Institute for Materials Science, Tsukuba, Japan
Proposal composer (on behalf of Paul von Ragué Schleyer), “Neutral” Carbocations, Petroleum
Research Fund, $80,000, granted, September 2004-August 2006.
Grants Approved (after joining UPR)
¾ PI, Structures and Reactivities of Endohedral Metallofullerenes and Related Systems, NSF, $200,000,
08/01/2008-07/30/2010.
¾ Co-PI, Development of a Proto-Type Model to Predict Cellar Penetration of Nanomaterials, EPA,
$399,628 ($61,000 direct cost to UPR), 09/01/2008-08/31/2011.
¾ PI, Computational Quest for Nanocatalysts with Novel Zeolitic Carbon Support for Bioethanol
Production, subaward of Oak Ridge National Lab, $25,000, 06/01/2010 – 05/31/2011.
¾ PI, ORNL Faculty Summer Research Program, 10-week summer support, 06/07/2010-08/13/2010.
¾ PI, Computational Explorations of Boron Nitride Monolayer Nanostructures for Aerospace Applications,
NASA SEED Program, $ 30,000, 09/01/2010-05/30/2012
¾ PI, Computational Modeling of Nanotoxicity, $ 28,800 FIPI (UPR internal grant)
¾ PI, Low-Dimensional Nanomaterial Simulations, 200K Service Units (CPU time), TeraGrid.
¾ Team Member, CRIF:MU: Acquisition of a Cyber-Enabled Green Computer Cluster for Green Energy
Research, NSF, $350,000, with Georgia Tech.
¾ Team Member, Institute for Functional Nanomaterials (IFN), NSF, $ 24 M, 08/01/2010-07/31/2015.
¾ Team Member, Adaptive Cyberinfrastructure for Transformative Research: Computational Materials for
Energy Technologies, NSF, $ 6M, 08/01/2010-07/31/2012.
¾ National Distinguished Overseas Expert, The 111 Plan of Attracting Talents, NSF of China, Chinese
Yuan 9M, 01/01/2012-12/31/2016
¾ PI, Theory-guided Innovation of Noncarbon Two-dimensional Nanomaterials, DoD, $ 420,000
(02/14/2012-01/31/2015)
¾ PI, Computational Design of Quantum Dots/Graphene Hybrid Nanostructures for Solar Cells, Exploratory
Research Funds, Institute for Functional Nanomaterials, $ 18,000 (01/01/2012-09/01/2012)
OUTREACH ACTIVITIES
¾
¾
¾
¾
¾
¾
“Be a Scientist!”, May 17, 2012, St. John’s School, San Juan, Puerto Rico
Magic shows, Feb. 13, 2012, St. John’s School, San Juan, Puerto Rico
Participating NanoDays, 2009-2012
Magic shows in Preschool of the University of Puerto Rico, May 17, 2011, San Juan, Puerto Rico.
Magic shows and Chinese New Year presentation in Preschool of the University of Puerto Rico, Feb. 4, 2011,
San Juan, Puerto Rico.
Summer research for high school students, 2011
STUDENTS/POSTDOC SUPERVISED
¾ Postdoc
o Wei Chen (female), University of Puerto Rico, now Associate Professor at Jilin University
o Yafei Li, University of Puerto Rico
o Xingfa Gao, Rensselaer Polytechnic Institute, now Professor at Chinese Academy of Science
¾ Visiting scientist
o Guangtao Yu, University of Puerto Rico, now Associate Professor at Jilin University
¾ Graduate students currently under supervision
o Fengyu Li (female), University of Puerto Rico
o Yunlong Liao, University of Puerto Rico
o Peng Jin, University of Puerto Rico
o Bay Allen Pantoja, University of Puerto Rico
o Lu Wang (female), joint with Rensselaer Polytechnic Institute
o Fen Li, female, Dalian University of Technology
¾
¾
o Ming Li, Nankai University
o Qing Tang, Nankai University
o Yafei Li, Nankai University
Undergraduate student currently under supervision
o Michael Lucking, Rensselaer Polytechnic Institute
o Keysha Melendez Cuadrado (female), University of Puerto Rico
o Keyra Melendez Cuadrado (female), University of Puerto Rico
o Clara Leticia Cruz (female), University of Puerto Rico
o Valerie Lopez (female), University of Puerto Rico
o Juan Corchado, University of Puerto Rico
o Jessica M. Gonzalez Delgado (female), University of Puerto Rico
o Maxier Acosta, University of Puerto Rico
o Rao Cui (female), Nankai University
High school student currently under supervision
o Jack Feng (now at MIT)
o Esmarline De Leon Peralta (now at UPR Mayaguez)
NOTABLE HORNORS OF STUDENTS SUPERVISED OR CO-SUPERVISED
o Lu Wang, The Best PhD Thesis Award of Liaoning Province, The Promising Star among the PhD
Students of China
o Yafei Li, The Promising Star among the PhD Students of China, The Top 10 Stars of Nankai
University
o Fen Li, The Best MS Thesis Award of Liaoning Province
o Yunlong Liao, Fellowship from the China Scholarship Council; Tuition Waiver by University of
Puerto Rico
o Fengyu Li, Tuition Waiver by University of Puerto Rico; the Institutional Scholarship for Graduate
Students of UPR; Fellowship of Institute for Functional Nanomaterials, UPR
COMMITTEE MEMBER FOR PhD STUDENTS
o Gada Suliman, University of Puerto Rico
o Logesh Mathivathanan, University of Puerto Rico
o Amal Suleiman Mahmoud Hassan, University of Puerto Rico
o Edwin O. Ortiz-Quiles, University of Puerto Rico
o Juan Lopez, University of Puerto Rico
o Dionne M. Hernández Lugo, University of Puerto Rico
o Alan J. Rodríguez Santiago, University of Puerto Rico
PROFESSIONAL SERVICES
Membership in Professional Associations
¾ American Chemical Society (ACS)
¾ American Physical Society (APS)
¾ Materials Research Society (MRS)
¾ Alexander von Humboldt Association of America
Member of Editorial Board
¾ Insciences-Nanotechnology
¾ Journal of Nanoscience Letters
¾ Journal of Materials
¾ E-Journal of Chemistry
¾ Communications in Computational Chemistry
¾ Guest Co-editor, A Special Issue on Structures, Properties, and Applications of Nanomaterials: a
Computational Exploration, J. Comput. Theor. Nanosci. 2011
Evaluation of Manuscripts for Journals (over 40 international journals, around 40 manuscripts per
year in 2007-2009, over 50 per year in 2010 and 2011)
J. Am. Chem. Soc
J. Phys. Chem. B
J. Chem. Phys.
Angew. Chem. Int. Ed.
J. Phys. Chem. C
J. Comp. Chem.
Nature Materials
Inorg. Chem.
Nanotechnology
Chem. Eur. J.
ChemPhysChem
Chem. Phys. Lett.
Org. Lett.
Small
Carbon
J. Phys. Chem. A
Phy. Rev. B
J. Mol. Struct. (Theochem)
Curr Opin Colloid Interface Sci
Int. J. Mass Spect.
Diamond and Related Materials.
Physica Status Solid
J. Phys. D
Physica E
Int. J. Hydrogen Res.
Mol. Phys.
Envir. Sci. & Tech.
PCCP
Chem. Asia J.
J. Mater. Chem.
Chem. Comm.
J. Cluster Sci.
Chemical Sciences
Nanoscale
RSC Advances
Nano Research
J. Phys. Chem. Lett.
J. Appl. Phys.
Science China
J. Alloy. Comp.
E. J. Chem.
ACS. Appl. Mater. Interf.
J. Mol. Mod.
Molecule
J. Nanosc. & Nanotech.
J. Theor. Comp. Chem.
Molecular Simulations
Centr. Eur. J. Chem.
Int. J. Quant. Chem.
J. Mol. Graph. Mod
J. Phys.Condens. Matter
J. Phys. Org. Chem.
Frontier of Physics
Nanoscale Res. Lett.
J. Nanoscience Nanotech.
Appl. Phys. Lett.
Evaluation of Research Proposals (7 funding agencies)
¾ Department of Defense (DoD)
¾ National Science Foundation (NSF)
¾ Department of Energy (DOE)
¾ The U.S. Civilian Research and Development Foundation (CRDF)
¾ Petroleum Research Fund (PRF)
¾ Jeffress Memorial Trust
¾ Netherlands Organisation for Scientific Research (NWO)
Member of the Organizing Committee of Conferences
¾ Workshop on Computational Nanoscience and New Energy Material, Yantai, China, June, 2012
¾ Member of Advisory Board, New Diamond and Nano Carbons Conference - San Juan, PR, May 20-24,
2012
¾ Organizer, Symposium on “New Frontiers of Computational Nanomaterials Science”, IUPAC, San Juan,
PR, Aug. 2, 2011
¾ Member of the Academic Committee, The sixth International Conference on Theoretical Chemistry,
Molecular Modeling and Life Sciences, as well as Academic Intercommuniction on the Platform for
Scientific Computation and Simulation Software, Guangzhou, China, Nov. 11-14, 2011
¾ Workshop on Computational Nanoscience and New Energy Material, Chengdu, China, July, 2011
¾ Nano and Giga Challenges in Electronics and Photonics From Atoms to Materials to Devices to System
Architecture Symposium and Spring School, Phoenix, Arizona, March 12-16, 2007
¾ Workshop on Computational Nanoscience and New Energy Material, Tianjin, China, March 14-17,
2008
¾ Nano and Giga Challenges in Electronics, Photonics and Renewable Energy, Ontario, Canada, August
10-14, 2009
¾ Workshop on Computational Nanoscience and New Energy Material, Dalian, China, May 2009
¾ Workshop on Computational Nanoscience and New Energy Material, Tai’an, China, October 2010
INVITED CONFERENCE/SEMINAR TALKS (120)
July 24
2012 Summer School of Theoretical Chemistry, Nanjing University, Nanjing, China
July 23
2012 School of Chemistry, Beijing Normal University, Beijing, China
July 18
2012 Department of Physics, University of Science and Technology of China, Hefei, China
July 17
2012 Department of Chemistry, University of Science and Technology of China, Hefei, China
July 16
2012 Institute for Theoretical Chemistry, Jilun University, Changchun, China
July 10
2012 Institute of New Energy Material Chemistry, Nankai University, China
July 9
2012 Institute of New Energy Material Chemistry, Nankai University, China
June 29
June 28
June 28
June 26
June 17
2012
2012
2012
2012
2012
June 15
2012
June 12
May 21
Jan. 27
2012
2012
2012
Sept. 8
Sept. 6
Sept. 6
Aug. 12
Aug. 10
Aug. 2
2011
2011
2011
2011
2011
2011
July 5
2011
July 1
2011
June 23
June 16
June 13
June 10
June 9
June 7
May 28
Aug. 12
Jul. 27
2011
2011
2011
2011
2011
2011
2011
2010
2010
Jul. 23
Jul. 12
Jul. 7
2010
2010
2010
Jun. 30
Jun. 29
2010
2010
Feb. 22
Feb. 12
Feb. 10
Dec. 18
Dec. 15
2010
2010
2010
2009
2009
Oct. 21
Nov. 2
Aug. 19
Aug. 18
Aug. 13
2009
2009
2009
2009
2009
June 9
June 5
June 4
2009
2009
2009
Institute for Metal Research, Chinese Academy of Science, Shenyang, China
Department of Physics, Dalian University of Technology, Dalian, China
Institute of Chemical Physics, Chinese Academy of Science, Dalian, China
Department of Physics, Dalian University of Technology, Dalian, China
5th International Conference on Computational Nanoscience and New Energy Materials,
Yantai, China
Summer School, 5th International Conference on Computational Nanoscience and New
Energy Materials, Yantai, China
Department of Physics, Fudan University, Shanghai, China
2012 New Diamond and Nano Carbons Conference, San Juan, PR
Puerto Rico Symposium on Nanoparticles as Tools in BioSensing, BioImaging, and Novel
Treatments, Aguadilla, PR
ChinaNANO 2011, keynote speaker, Beijing, China
Institute for High Energy Physics, Chinese Academy of Science, Beijing, China
Department of Chemistry, Beijing University of Science and Technology, Beijing, China
Summer School of Physical Chemistry for Graduate Students, Guangzhou, China
Institute of Textiles & Clothing, Hong Kong Polytechnic University, Hong Kong
Symposium on “New Frontiers of Computational Nanomaterials Science”, IUPAC,
San Juan, PR
College of Advanced Science and Technology, Dalian University of Technology, Dalian,
China
Forth Workshop on Computational Nanoscience and New Energy Materials, Chengdu,
China
Department of Physics, Dalian University of Technology, Dalian, China
School of Materials Science, Hubei University of Technology, Tianjin, China
Department of Physics, Central China Normal University, Wuhan, China
Department of Physics, Southeastern University, Nanjing, China
School of Engineering, Nanjing University, Nanjing, China
School of Engineering, Nanjing University, Nanjing, China
The 11th National Conference of Quantum Chemistry, Hefei, China
Oak Ridge National Lab, Oak Ridge, TN
School of Environmental Science and Technology, Dalian University of Technology,
Dalian, China
158th MANA Seminar, National Institute for Materials Science, Tsukuba, Japan
Institute of New Energy Material Chemistry, Nankai University, Tianjin, China
The 9th International Conference on Condensed Matters Theory and Computational
Materials Science, Dalian, China
Dalian Institute for Chemical Physics, Chinese Academy of Science, Dalian, China
Workshop for “Computational Chemistry/Biochemistry/Toxicology/Materials Science”,
Dalian, China
Department of Chemistry, Georgia Institute of Technology, Atlanta, GA
Department of Physics, Rensselaer Polytechnic Institute, Troy, NY
Department of Chemistry, New York University, New York, Y
Department of Chemistry, Fuzhou University, China
5th Worldwide Chinese Theoretical and Computational Chemistry Conference,
Xiamen, China
61st Southeast Regional Meeting (SERMACS), San Juan
Jackson State University, Jackson, MS
ACS Fall 2009 National Meeting, Washington DC
ACS Fall 2009 National Meeting, Washington DC
Nano and Giga Challenges in Electronics, Photonics and Renewable Energy & 14th
Canadian Semiconductor Technology Conference, Hamilton, Ontario, Canada
Dalian University of Technology
Nankai University, Tianjin, China
Nankai University, Tianjin, China
June 2
May 30
May 28
May 27
May 26
May 22
2009
2009
2009
2009
2009
2009
Sept. 29
Sept. 28
Sept. 24
2008
2008
2008
Sept. 19
Sept. 18
Sept. 16
Sept. 14
Apr. 8
Mar. 17
Mar. 16
Mar. 6
Mar. 11
2008
2008
2008
2008
2008
2008
2008
2008
2008
Oct. 24
Jul. 26
Jul. 17
Jul. 6
Jul. 2
Jun. 1
2007
2007
2007
2007
2007
2007
Apr. 28
2007
Apr. 12
Mar. 28
Mar. 15
2007
2007
2007
Feb. 28
Feb. 25
Feb. 9
Nov. 1
Mar. 30
Feb. 6
Oct. 11
Jun. 17
Jun. 13
Jun. 13
Jun. 10
Jun. 7
Jun. 6
May 23
May 18
Nov. 11
Aug. 22
2007
2007
2007
2006
2006
2006
2005
2005
2005
2005
2005
2005
2005
2005
2005
2004
2004
Aug. 3
2004
Jul. 22
2004
Department of Chemistry, Xiamen University, Xiamen, China
Department of Chemistry, Wuhan University, Wuhan, China
Department of Chemistry, Nanjing University, Nanjing, China
Department of Physics, Southeastern University, Nanjing, China
Nanjing University, Nanjing, China
Second Workshop on Computational Nanoscience and New Energy Materials, Dalian,
China
Department of Physics, University of Science and Technology of China, Hefei, China
Department of Physics, University of Science and Technology of China, Hefei, China
International Conference on Theory and Applications of Computational Chemistry,
Shanghai, China
Institute for Metal Research, Shenyang National Lab, Shenyang, China
College of Advanced Science and Technology, Dalian University of Technology, Dalian
Department of Physics, Tsinghua University, Bejing, China
The graduate school of Chinese Academy of Science, Beijing, China
Department of Chemistry, University of Puerto Rico, Río Piedras Campus, Puerto Rico
Institute of New Energy Material Chemistry, Nankai University, China
Workshop on Computational Nanoscience and New Energy Material, Tianjin, China
Department of Chemistry, Missouri University of Science and Technology, USA
Final Workshop of International Center for Young Scientists, National Institute for
Materials Science, Tsukuba, Japan
Virtual Conference on Nanoscale Science and Technology, Fayetteville, AR, USA
Young Research Talks, ICYS-ICMR Summer School on Nanomaterials, Tsukuba, Japan
Department of Chemistry, University of Tsukuba, Tsukuba, Japan
Department of Material Science, Kyushu UniversityFukuoka, Japan
Department of Theoretical Studies, Institute for Molecular Science, Okazaki, Japan
International Center for Young Scientists, National Institute of Materials Science,
Tsukuba, Japan
International Discussion Forum on Theoretical Catalysis and Materials Chemistry,
Tainyuan, P. R.China
Brooklyn College, City University of New York, New York, USA
Department of Chemistry, University of Texas at Arlington, Texas, USA
International Symposium “Nano and Giga Challenges in Electronics and Photonics”,
Phoenix, Arizona, USA
Department of Chemistry, University of Nevada at Las Vegas, Las Vegas, USA
Stony Brook University, New York, USA
Department of Chemistry, University of Southern Mississippi, USA
Southeast Regional Meeting of the American Chemical Society, Atlanta, GA, USA
231st ACS National Meeting, Atlanta, GA, USA
Department of Chemistry and Biochemistry, Northern Illinois University
Department of Chemistry, Clemson University, Clemson, SC, USA
1st NAREGI International Nanoscience Conference, Nara, Japan
National Institute for Materials Science, Advanced Materials Laboratory, Tsukuba, Japan
Center for Tsukuba Advanced Research Alliance, University of Tsukuba, Tsukuba, Japan
Department of Theoretical Studies, Institute for Molecular Science, Okazaki, Japan
Department of Chemistry, Nagoya University, Nagoya, Japan
Department of Theoretical Studies, Institute for Molecular Science, Okazaki, Japan
Department of Theoretical Studies, Institute for Molecular Science, Okazaki, Japan
National Institute of Advanced Industrial Science and Technology (AIST), Osaka, Japan
56th Southeast Regional Meeting of the ACS, Research Triangle Park, Durham, NC, USA
228th ACS fall meeting, Symposium in honor of Prof. H. F. Schaefer III’s 60th
birthday, Philadelphia, USA
International Conference on Optoelectronics and Spectroscopy of Nano-Structured
Thin Films and Materials, Beijing, China
Department of Physics and Astronomy, Katholieke Universiteit Leuven, Belgium
Jul. 21
Jul. 19
Jul. 16
Jul. 6
May 7
May 5
May 11
May 8
Apr.
Mar.
Nov.
May 3
Apr. 5
Sep. 24
Sep.18
May 13
Feb.
Feb.
Dec.
Dec.
Dec.
Apr.
Dec.
2004
2004
2004
2004
2004
2004
2004
2004
2004
2004
2003
2003
2003
2002
2002
2002
2002
2002
2001
2001
2001
2001
2000
Max-Planck-Institut fuer Kohlenforschung, Muelheim an der Ruhr, Germany
Institute of Theoretical Physics, University of Paderborn, Germany
Institute of Organic Chemistry, University of Bochum, Germany
Institute of Organic Chemistry, University of Erlangen-Nuernberg, Germany
Institute of Chemistry, Chinese Academy of Science, Beijing, P. R. China
College of Chemistry, Nankai University, Tianjin, P. R. China
Department of Chemistry, Tianjin Normal University, Tianjin, P. R. China
Department of Chemistry, Xiamen Univ. P. R. China
Department of Chemistry, Peking University, Beijing, P. R. China
Emerson Center, Emory University, Atlanta, GA, USA
55th Southeast Regional Meeting of the American Chemical Society, Atlanta, GA, USA
National Institute of Advanced Industrial Science and Technology (AIST), Osaka, Japan
Department of Theoretical Studies, Institute for Molecular Science, Okazaki, Japan
Max-Planck-Institut fuer Kohlenforschung, Muelheim an der Ruhr, Germany
Institut fuer Organische Chemie, Univ. of Kiel, Kiel, Germany
Theoretical Chemistry Institute, University of Heidelberg, Heidelberg, Germany
Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin, Germany
Institut fuer Physikalische Chemie, Technische Universität Dresden, Dresden, Germany
Department of Chemistry, Nankai Univ., Tianjin, P. R. China
Institute of Coal Research, Tainyuan, P. R.China
International Symposium of Clean Coal Utilization, Sanya, P. R. China
Department of Chemistry, Nankai Univ., Tianjin, P. R. China
Department of Physics, Fudan University, Shanghai, P. R. China
VISITING EXPERIENCES (Duration More than One Month)
Jun-Aug.
2010 Oak Ridge National Lab, USA
May
2009 Dalian University of Technology
May-Jul.
2007 International Center for Young Scientists, National Institute for Materials Science,
Tsukuba, Japan
May
2005 Institute for Molecular Science, Okazaki, Japan
Jul. – Aug.
2004 Max-Planck-Institut für Kohlenforschung, Mülheim an der Ruhr, Germany
Jun. – Jul.
2004 Institut für Organishe Chemie, Universität Erlangen-Nürnberg, Germany
Apr. – May 2003 Institute for Molecular Science, Okazaki, Japan
Feb.
2002 Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin, Germany.
OTHER SERVICES
¾ Web Editor of the departmental website http://chemistry.uprrp.edu/
PROFESSIONAL REFERENCES
¾
¾
¾
¾
Prof. Paul von Ragué Schleyer
Dept. of Chemistry, Center for Computational Chemistry, University of Georgia, Athens, GA 30602
Email: schleyer@chem.uga.edu Tel: 706-542-7510;
Prof. Henry Schaefer III
Center for Computational Chemistry, University of Georgia, Athens, GA 30602 USA
Email: sch@uga.edu Tel: 706-542-0364; Fax: 706-542-0406
Prof. Andreas Hirsch
Institut für Organische Chemie, Universität Erlangen-Nürnberg, Erlangen, 91054 Germany
Email: andreas.hirsch@chemie.uni-erlangen.de Tel: +49 9131 85 22537; Fax: +49 9131 85 26864
Prof. Shigeru Nagase
Dept. of Theoretical Molecular Science, Institute for Molecular Science, Okazaki, 444-8585, Japan
¾
Email: nagase@ims.ac.jp Tel: +81-564-55-7300 ; Fax: +81-564-53-4660
Prof. Walter Thiel
Max-Planck-Institut für Kohlenforschung, 45470 Mülheim an der Ruhr, Germany
E-mail: thiel@mpi-muelheim.mpg.de Tel. +49208-306-2150; Fax +49-208-306-2996
PUBLICATIONS OF DR. ZHONGFANG CHEN
Statistics (Aug. 15, 2012)
Journal
Number
Journal
Number
Journal
Number
Chem. Rev.
3
J. Phys. Chem. C
18
Theor. Chem. Acc.
4
J. Am. Chem. Soc.
15
J. Phys. Chem. Lett.
1
J. Mol. Mod.
4
Angew. Chem. Int. Ed.
7
Inorg. Chem.
3
IEEE Trans. Nanotech.
1
Phys. Rev. Lett.
2
ACS Appl. Mater. & Interf.
1
Eur. J. Inorg. Chem.
1
Nano Lett.
1
J. Comput. Chem.
4
J. Phys. Org. Chem.
1
J. Chem. Phys.
Chem. Mater.
Biosensors & Bioelectronics
Phys. Rev. B
Nanotechnology
Carbon
Chem. Phys. Lett.
J.C.S Faraday Trans
Phys.Chem.Chem.Phys.
Nano Life
4
1
1
3
3
1
4
1
6
1
Eur. J. Phys. D.
Can. J. Chem.
J. Comput. Theor. Nanosci.
Theochem
Chem. J. Chin. Univ.
Acta Chimica Sinica
Polish J. Chem.
Book chapter
Others
1
1
3
4
6
2
1
5
14
Chem. Eur. J.
ACS Nano
ChemComm
ChemPhysChem
Org. Lett.
J. Org. Chem.
Organometallics
J. Chem. Theory Comput.
J. Phys. Chem. A
J. Phys. Chem. B
Total
3
3
1
2
2
4
2
1
12
3
161
First authored
Correspondence authored
50
78
Total number of citations
4033
h-index
35
Selected Publications (10)
(* indicates the (co-)corresponding authorship; citation numbers are also given for each paper)
10.
9.
8.
Graphane/Fluorographene Bilayer: Considerable C−H
F−C Hydrogen Bonding and Effective Band
Structure Engineering
Yafei Li, Fengyu Li, Zhongfang Chen*
J. Am. Chem. Soc. 2012, 134,11269–11275.
Highlighted by www.nanowerk.com (http://www.nanowerk.com/spotlight/spotid=26100.php )
SiC2 Silagraphene and Its One-Dimensional Derivatives: Where Planar Tetracoordinate Silicon Happens
Yafei Li, Fengyu Li, Zhen Zhou,* Zhongfang Chen*
J. Am. Chem. Soc., 2011, 133, 900–908.
Highlighted by Nature China
Anne Pichon. “Theoretical chemistry: Flattening silicon”, published online: 2 February 2011
doi:10.1038/nchina.2011.5
Highlighted by ACS official website
Hydrogenation: A Simple Approach to Realize Semiconductor―Half-Metal―Metal Transition in Boron
7.
6.
5.
4.
3.
2.
1.
Nitride Nanoribbons
Wei Chen, Yafei Li, Guangtao Yu, Chenzhong Li, Shengbai Zhang, Zhen Zhou,* Zhongfang Chen*
J. Am. Chem. Soc. 2010, 132, 1699–1705.
Highlighted by www.nanowerk.com (http://www.nanowerk.com/spotlight/spotid=15647.php)
Yafei Li, Zhen Zhou,* Shengbai Zhang, Zhongfang Chen*
MoS2 Nanoribbons: High Stability, Unusual Electronic and Magnetic Properties
J. Am. Chem. Soc. 2008, 130, 16739.
Zhongfang Chen,* Sven Neukermans, Xin Wang, Ewald Janssens, Zhen Zhou, Roger E. Silverans,
R. Bruce King, Paul v. R. Schleyer, Peter Lievens*
To Achieve Stable Spherical Clusters: General Principles and Experimental Confirmations
J. Am. Chem. Soc. 2006, 128, 12829.
Zhongfang Chen,* Chaitanya S. Wannere, Clémence Corminboeuf, Ralph Puchta, Paul. v. R. Schleyer*
Nucleus-Independent Chemical Shifts (NICS) as an Aromaticity Criterion
Chem. Rev. 2005, 105, 3842.
Ranked as No. 1 “hot paper” of Chemical Reviews in January, 2008 by ACS publications as recognized
by Thomson ISI®'s Essential Science Indicators (former rankings in 2007 were No. 21 in Jan, No. 18 in
March, No. 13 in May, No. 12 in July, No. 5 in Sept. and No. 3 in Nov.)
Zhongfang Chen,* Shigeru Nagase, Andreas Hirsch, Robert C Haddon, Walter Thiel, Paul v. R.
Schleyer*
Side-Wall Opening of Single-Wall Carbon Nanotubes (SWCNTs) by Chemical Modification: A Critical
Theoretical Study
Angew Chem. Int. Ed. 2004, 43, 1552-1554.
Zhongfang Chen, Clémence Corminboeuf, Thomas Heine, Jon Bohmann, Paul v. R. Schleyer
Do All-Metal Antiaromatic Clusters Exist?
J. Am. Chem. Soc. 2003, 125, 13930.
Highlighted by
Chemical & Engineering News (C&EN) (2003, Dec. 15, Page 23-26)
Nachrichten aus der Chemie (2003, Feb, page 121)
reported in Chemistry Highlights of 2003 (C&EN) (2003,Dec. 22, page 45)
Zhongfang Chen, Haijun Jiao, Andreas Hirsch, Paul v. R. Schleyer
Spherical Homoaromaticity
Angew. Chem. Int. Ed. 2002, 41, 4309.
Andreas Hirsch, Zhongfang Chen, Haijun Jiao
Spherical Aromaticity in Ih-Symmetrical Fullerenes: the 2(N+1)2 Rule
Angew. Chemie. Int. Ed. 2000, 39, 3915.
Full Publication List (161)
(* indicates the corresponding authorship)
A. Invited Reviews and Book Chapters
11.
Theoretical Insights into the Structures of Graphene Oxide and Its Chemical Conversions between
Graphene
Xingfa Gao, De-en Jiang,* Yuliang Zhao, Shigeru Nagase, Shengbai B. Zhang, Zhongfang Chen*
J. Comput. Theor. Nanosci. 2011, 8, 2406-2422.
10.
De-en Jiang,* Xingfa Gao, Shigeru Nagase, Zhongfang Chen*
Properties of π-electrons in Graphene Nanoribbons and Nanograpenes
Book chapter in Chemistry of Nanocarbon, edited by Wudl, F.; Nagase, S.; Akasaka, T.
Wiley-Blackwell, 2009.
9.
Zhen Zhou, Xin Lu, Zhongfang Chen*
Curvature, Aromaticity and Reactivity of Carbon Nanotubes
Book chapter in Chemistry of Carbon Nanotubes, edited by Prof. Vladimir A. Basiuk, American
Scientific Publishers, 2007, page 47-73.
8.
Zhongfang Chen,* R. Bruce King*
The Evaluation of Aromaticity in Inorganic Clusters and Related Compounds by Nucleus-Independent
7.
6.
5.
4.
3.
2.
1.
Chemical Shifts
ChemTracts-Inorganic Chemistry, 2006, 19, 45.
Xin Lu,* Zhongfang Chen*
Curved π−Conjugation, Aromaticity and the Related Chemistry of Small Fullerenes (<C60) and
Single-Walled Carbon Nanotubes
Chem. Rev. 2005, 105, 3463.
Most-Accessed Article: October-December, 2005
Zhongfang Chen,* R. Bruce King
Spherical Aromaticity: Recent Work on Fullerenes, Polyhedral Boranes, and Related Structures
Chem. Rev. 2005, 105, 3613.
Zhongfang Chen,* Chaitanya S. Wannere, Clémence Corminboeuf, Ralph Puchta, Paul. v. R. Schleyer*
Nucleus-Independent Chemical Shifts (NICS) as an Aromaticity Criterion
Chem. Rev. 2005, 105, 3842.
Ranked as No. 1 “hot paper” of Chemical Reviews in Jan., 2008 by ACS publications as recognized by
Thomson ISI®'s Essential Science Indicators (former rankings in 2007 were No. 21 in Jan, No. 18 in
March, No. 13 in May, No. 12 in July, No. 5 in Sept. and No. 3 in Nov.), the most- cited article
Chaitanys S. Wannere, Zhongfang Chen, Paul v. R. Schleyer
“Neutral” and “Anionic” Carbocations
Book chapter in hydrocarbon, edited by Prof. G. A. Olah. 2004, Page 43-71.
Zhongfang Chen, Thomas Heine, Paul v. R. Schleyera, Dage Sundholmd
Aromaticity Indices from Magnetic Shieldings
Book chapter in Calculation of NMR and EPR Parameters. Theory and Applications. edited by M.
Kaupp, M. Buehl and V. G. Malkin, Wiley-VCH, 2004. Page 395-407.
Zhongfang Chen, Haijun Jiao, Andreas Hirsch
Spherical Aromaticity- An Overview
Book Chapter in Developments in Fullerene Science (Fullerenes: From Synthesis to Optoelectronic
Properties), edited by Dirk M. Guldi and Nazario Martin, KLUWER Academic publisher, 2002, Page
121-135.
Zhongfang Chen, Xuezhuang Zhao, Auchin Tang
Recent Progress on the Theoretical Studies of Heterofullerenes
Chinese Journal of Structural Chemistry 1999, 18, 463. (in Chinese) [3 citations]
B. Publications in Peer-Reviewed Journals
At University of Puerto Rico as An Associate Professor
150.
Tuning Electronic Structure of Bilayer MoS2 by Vertical Electric Field: A First-Principles Investigation
Qihang Liu, Linze Li, Yafei Li, Zhengxiang Gao, Zhongfang Chen, Jing Lu
J. Phys. Chem. C. 2012, accepted
149.
Is C60 Buckminsterfullerene Aromatic?
Zhongfang Chen,* Judy I. Wu, Clémence Corminboeuf, Jonathan Bohmann, Xin Lu, Andreas Hirsch,
Paul von Ragué Schleyer*
Phys. Chem. Chem. Phys. 2012, accepted, DOI: 10.1039/C2CP42146A
148.
Appropriate Description of Intermolecular Interactions in the Methane Hydrates: an Assessment of DFT
Methods
Yuan Liu, Jijun Zhao,* Fengyu Li, Zhongfang Chen*
J. Comp. Chem. 2012, accepted
147.
Many M©Bn Boron Wheels are Local, but not Global Minima
Yunlong Liao, Clara Leticia Cruz, Paul von Ragué Schleyer, Zhongfang Chen*
Phys. Chem. Chem. Phys. 2012, accepted
146.
Enhanced Li Adsorption and Diffusion on MoS2 Zigzag Nanoribbons by Edge Effects - A Computational
Study
Yafei Li, Dihua Wu, Zhen Zhou,* Carlos Cabrera, Zhongfang Chen*
J. Phys. Chem. Lett. 2012, 3, 2221–2227.
145.
Graphane/Fluorographene Bilayer: Considerable C−H
F−C Hydrogen Bonding and Effective Band
144.
143.
142.
141.
140.
139
138.
137.
136.
135.
134.
133.
132.
Structure Engineering
Yafei Li, Fengyu Li, Zhongfang Chen*
J. Am. Chem. Soc. 2012, 134,11269–11275.
Highlighted by www.nanowerk.com (http://www.nanowerk.com/spotlight/spotid=26100.php )
Searching For New Members of C70 Homofullerenes by First-Principles Computations: Bent’s Rule at
Work on C70 Surface
JiachengFeng, Fengyu Li, Peng Jin, Yunlong Liao, Zhongfang Chen*
J. Theor. Comput. Chem. 2012, accepted
Uniform Bending Effect on Electronic Properties of Boron Nitride Nanoribbons: A Computational
Investigation
Yunlong Liao, Zhongfang Chen*
Nano Life, 2012, 2, 1240005.
Single-Layer [Cu2Br(IN)2]n Coordination Polymer (CP): Electronic and Magnetic Properties, and
Implication for Molecular Sensors
Qing Tang, Zhen Zhou,* Zhongfang Chen*
J. Phys. Chem. C. 2012, 116, 4119-4125.
The Patterned Partially Hydrogenated Graphene (C4H) and Its One-Dimensional Analogues: A
Computational Study
Yafei Li, Zhongfang Chen*
J. Phys. Chem. C. 2012, 116, 4526–4534.
First Total Synthesis of the (±)-2-Methoxy-6-heptadecynoic Acid and Related 2-methoxylated Analogs as
Effective Inhibitors of the Leishmania Topoisomerase IB Enzyme
Néstor M. Carballeira, Michelle Cartagena, Fengyu Li, Zhongfang Chen, Christopher F. Prada, Estefania
Calvo-Alvarez, Rosa M. Reguera, and Rafael Balaña-Fouce
Pure & Appl. Chem. 2012, accepted
B80 and B101-103 Clusters: Remarkable Stability of the Core-shell Structures Established by Validated
Density Functionals
Fengyu Li, Peng Jin, Lu Wang, De-en Jiang, Shengbai Zhang, Jijun Zhao,* Zhongfang Chen*
J. Chem. Phys. 2012, 136, 074302.
From Vanadium Naphthalene (Vn-1Npn) Sandwich Clusters to VNp Sandwich Nanowire: Structural,
Energetic, Electronic, and Magnetic Properties
Yafei Li, Zhen Zhou,* Zhongfang Chen*
J. Phys. Chem. A. 2012, 116, 1648-1654.
Improved Stability of Water Clusters (H2O)30-48: A Monte Carlo Search Coupled with DFT Computations
Fengyu Li, Jijun Zhao,* Zhongfang Chen*
Theor. Chem. Acc. 2012, 131, 1163.
Amorphous Structural Models for Graphene Oxides
Lizhao Liu, Lu Wang, Junfeng Gao, Jijun Zhao, Xingfa Gao, Zhongfang Chen
Carbon, 2012, 50, 1690-1698.
Fe-Anchored Graphene Oxide: A Low-Cost and Easily Accessible Catalyst for Low-Temperature CO
Oxidation
Fengyu Li, Jijun Zhao, Zhongfang Chen*
J. Phys. Chem. C 2012, 116, 2507-2514.
Electronic and Magnetic Properties of Hybrid Graphene Nanoribbons with Zigzag-Armchair
Heterojunctions
Yafei Li, Zhen Zhou, Pan-Wen Shen, Zhongfang Chen
J. Phys. Chem C. 2012, 116, 208–213.
Mn Monolayer Modified Rh for Syngas-to-Ethanol Conversion: A First-Principles Study
Fengyu Li, De-en Jiang,* Xiao Cheng Zeng, Zhongfang Chen*
Nanoscale, 2012, 4, 1123-1129.
Highlighted as a cover picture, and NSF website Science360.
Interactions between Al12X (X = Al, C, N and P) Nanoparticles and DNA Nucleobases/base Pairs:
Implication to Nanotoxicity
Peng Jin,* Yongsheng Chen, Shengbai B. Zhang, Zhongfang Chen*
131.
130.
129
128
127
126
125
124
123
122
121
120
119
118
117
J. Mol. Mod. 2012, 18, 559–568.
Catalytic Activities of Subnanometer Gold Clusters (Au16-Au18, Au20, and Au27 - Au35) for CO Oxidation
Yi Gao, Nan Shao, Yong Pei, Zhongfang Chen, Xiao Cheng Zeng
ACS Nano, 2011, 5, 7818–7829.
Molecular Charge-Transfer: A Simple and Effective Route to Engineer the Band Structures of BN
Nanosheets and Nanoribbons
Qing Tang , Zhen Zhou,* Zhongfang Chen*
J. Phys. Chem. C, 2011, 115, 18531–18537.
What is the Best Density Functional to Describe Water Clusters: Evaluation of Widely Used Density
Functionals with Various Basis Sets for (H2O)n (n=1-10)
Fengyu Li, Lu Wang, and Jijun Zhao,* Rui-Hua Xie, Kevin E. Riley, Zhongfang Chen *
Theor. Chem. Acc. 2011, 130, 341-352.
Open-Shell Singlet Character of Stable Derivatives of Nonacene, Hexacene and Teranthene
Xingfa Gao, Jennifer L. Hodgson, De-en Jiang, Shengbai B. Zhang, Shigeru Nagase, Glen P. Miller,
Zhongfang Chen*
Org. Lett. 2011, 13 , 3316–3319.
Versatile Electronic and Magnetic Properties of Corrugated V2O5 Two-Dimensional Crystal and Its
Derived One-Dimensional Nanoribbons: A Computational Exploration
Qing Tang, Fengyu Li, Zhen Zhou,* Zhongfang Chen*
J. Phys. Chem. C. 2011, 115, 11983–11990.
Forward, A Special Issue on Structures, Properties, and Applications of Nanomaterials: a Computational
Exploration.
Jijun Zhao,* Zhongfang Chen*
J. Comput. Theor. Nanosci. (editorial) 2011, 8, 2395-2397.
Theoretical Design of Novel Trinuclear Sandwich Complexes with Central M3 Triangles (M = Ni, Pd, Pt)
Peng Jin,* Fengyu Li, Zhongfang Chen*
J. Phys. Chem. A, 2011, 115, 2402–2408.
SiC2 Silagraphene and Its One-Dimensional Derivatives: Where Planar Tetracoordinate Silicon Happens
Yafei Li, Fengyu Li, Zhen Zhou,* Zhongfang Chen*
J. Am. Chem. Soc. 2011, 133, 900-908.
Highlighted by Nature China
Anne Pichon. “Theoretical chemistry: Flattening silicon”, published online: 2 February 2011
doi:10.1038/nchina.2011.5
Highlighted by ACS official website
How Do Surface and Edge Effects Alter the Electronic Properties of GaN Nanoribbons?
Qing Tang, Yao Cui, Yafei Li, Zhen Zhou,* Zhongfang Chen*
J. Phys. Chem. C. 2011, 115,1724–1731.
Surface Engineering of Graphene-Enzyme Nano Composites for Miniaturized Biofuel Cell
Chang Liu, Zhongfang Chen, Chen-Zhong Li
IEEE Transactions on Nanotechnology 2011,10, 59-62.
Boron Fullerenes with 32-56 Atoms: Irregular Cage Configurations and Electronic Properties
Lu Wang, Jijun Zhao, Fengyu Li, Zhongfang Chen
Chem. Phys. Lett. 2010, 501, 16-19.
Stability of Graphene Oxide Phases from First-principles Calculations
Lu Wang, Yiyang Sun, Kyuho Lee, Damian West, Zhongfang Chen, Jijun Zhao, Shengbai Zhang
Phys. Rev. B (Rapid Communication) 2010, 82, 161406R.
Tuning Electronic and Magnetic Properties of Wurtzite ZnO Nanosheets by Surface Hydrogenation
Qing Tang, Yafei Li, Zhen Zhou,* Yongsheng Chen, Zhongfang Chen
ACS Applied Materials & Interfaces 2010, 2, 2442–2447.
Accuracy of Density Functional Theory Methods for Weakly Bonded Systems: The Case of Dihydrogen
Binding on Metal Centers
Yiyang Sun, Kyuho Lee, Lu Wang, Yong-Hyun Kim, Wei Chen, Zhongfang Chen, S. B. Zhang
Phys. Rev. B. 2010, 82, 073401.
B80 and Other Medium-sized Boron Clusters: Core-shell Structures, Not Hollow Cage
Jijun Zhao,* Lu Wang, Fengyu Li, Zhongfang Chen*
116
115
114
113
112
111
110
109
108
107
106.
105.
104.
J. Phys. Chem. A. 2010, 114, 9969–9972.
Highlighted by Chem. Eng. News as Science & Technology Concentrates (August 16 issue, Page 40)
Highlighted as a cover picture
Achieving Ferromagnetism in Single-Crystalline ZnS Wurtzite Nanowires via Cr-Doping
Yafei Li, Zhen Zhou,* Peng Jin, Yongsheng Chen, Shengbai Zhang, Zhongfang Chen*
J. Phys. Chem. C. 2010, 114, 12099–12103.
Hole-mediated hydrogen spillover mechanism in metal-organic frameworks
Kyuho Lee, Yong-Hyun Kim, Y. Y. Sun, D. West, Yufeng Zhao, Zhongfang Chen, S. B. Zhang
Phys. Rev. Lett. 2010, 104, 236101.
Meisenheimer-Wheland Complex between sym-Triaminobenzene and 4, 6-Dinitrobenzofuroxan?
Peng Jin, Fengyu Li, Kevin Riley, Dieter Lenoir,* Paul v. R. Schleyer, Zhongfang Chen*
J. Org. Chem., 2010, 75,3761–3765.
NC Unit Trapped by Fullerenes: A Density Functional Theory Study on Sc3NC@C2n (2n=68, 78 and 80)
Peng Jin, Zhen Zhou, Ce Hao, Zhanxian Gao, Kai Tan, Xin Lu,* Zhongfang Chen*
PCCP 2010, 12, 12442–12449.
Highlighted as a cover picture
Polyphenylene: Experimentally Available Porous Graphene as Hydrogen Purification Membrane
Yafei Li, Zhen Zhou, Zhongfang Chen
Chem. Commun., 2010, 46, 3672 - 367
Highlighted by Nature China
Anne Pichon, “Separation materials: An ace in the hole”, Published online: 2 June 2010,
doi:10.1038/nchina.2010.71
Synthesis, Properties and Bishomoaromaticity of the First Tetrahalogenated Derivative of a
1, 5-Diphosphadithiatetrazocine: A Combined Experimental and Computational Investigation
Tristram Chivers,* Robert W. Hilts, Peng Jin, Zhongfang Chen,* and Xin Lu*
Inorg. Chem., 2010, 49, 3810–3815
CO Catalytic Oxidation on Iron-Embedded Graphene: A Computational Quest for Low-Cost
Nanocatalysts
Yafei Li, Zhen Zhou,* Guangtao Yu, Wei Chen, Zhongfang Chen*
J. Phys. Chem. C. 2010, 114, 6250–6254.
Highlighted as cover picture
Hydrogenation: A Simple Approach to Realize Semiconductor―Half-Metal―Metal Transition in Boron
Nitride Nanoribbons
Wei Chen, Yafei Li, Guangtao Yu, Chenzhong Li, Shengbai Zhang, Zhen Zhou,* Zhongfang Chen*
J. Am. Chem. Soc. 2010, 132, 1699–1705.
Highlighted by www.nanowerk.com (http://www.nanowerk.com/spotlight/spotid=15647.php)
Addition of Carbene to the Equator of C70 To Produce the Most Stable C71H2 Isomer: 2
aH-2(12)a-Homo(C70-D5h(6))[5,6]fullerene
Bao Li, Chunying Shu, Xin Lu, Lothar Dunsch, Zhongfang Chen, T. John S. Dennis, Zhiqiang Shi, Li
Jiang, Taishan Wang, Wei Xu, Chunru Wang
Angew. Chem. Int. Ed. 2010, 49, 962-966.
Highlighted by Nature China
Felix Cheung, “In search for a stable isomer”, Published online: 13 January 2010,
doi:10.1038/nchina.2010.4.
Membraneless enzymatic biofuel cell based on graphene nanosheets
Chang Liu,Subbiah Alwarappana, Zhongfang Chen, Xiangxing Kong, Chen-ZhongLi
Biosensors and Bioelectronics, 2010, 15, 1829-1833.
Hydrogen Storage Behavior of One-dimensional TiBx Chains
Fen Li, Jijun Zhao,* Zhongfang Chen*
Nanotechnology 2010, 21, 134006.
A Bifunctional Strategy Towards Experimentally (Synthetically) Attainable Molecules with Planar
Tetracoordinate Carbons
Yan-Bo Wu, Jin-Liang Jiang, Hua Li, Zhongfang Chen, Zhi-Xiang Wang
Phys.Chem.Chem.Phys. 2010, 12, 58-61.
Electronic Structure and Reactivity of Boron Nitride Nanoribbons with Stone-Wales Defects
103.
102.
101.
100.
99
98.
97.
96.
95.
94.
93.
92.
91.
90
89
Wei Chen, Yafei Li, Guangtao Yu, Zhen Zhou,* Zhongfang Chen*
J. Chem. Theory. Comput. 2009, 5, 3088–3095.
Highlighted as cover picture (11st issue)
Graphene Oxide as an Ideal Substrate for Hydrogen Storage
Lu Wang, Kyuho Lee, Yi-Yang Sun, Michael Lucking, Zhongfang Chen, Ji Jun Zhao, Shengbai B. Zhang
ACS Nano 2009 , 3, 2995-3000.
De-En Jiang, Wei Chen, Robert Whetten, Zhongfang Chen
What Protects the Core When the Thiolated Au Cluster is Extremely Small?
J. Phys. Chem. C. 2009, 113, 16983.
Peng Jin, Ce Hao,* Zhanxian Gao, Shengbai Zhang, Zhongfang Chen*
Endohedral Metalloborofullerenes La2@B80 and Sc3N@B80: A Density Functional Theory Prediction
J. Phys. Chem. A. 2009, 113, 11613–11618
Yafei Li, Zhen Zhou,* Panwen Shen, Zhongfang Chen*
Structural and Electronic Properties of Graphane Nanoribbons
J. Phys. Chem. C, 2009, 113, 15043–15045.
Yafei Li, Zhen Zhou,* Panwen Shen, Zhongfang Chen*
Spin Gapless Semiconductor-Metal-Half metal Properties in Nitrogen-Doped Zigzag Graphene
Nanoribbons
ACS Nano, 2009, 3, 1952-1958.
Xingfa Gao, Lu Wang, Yuhki Ohtsuka, De-En Jiang, Yuliang Zhao, Shigeru Nagase,* Zhongfang Chen,*
Oxidation Unzipping of Stable Nanographenes into Joint Spin-rich Fragments
J. Am. Chem. Soc. 2009, 131, 9663–9669.
Qin Zhang, Shiping Yue, Xin Lu,* Zhongfang Chen, * Rongbin Huang, Lansun Zheng,
Paul von Ragué Schleyer
Homoconjugation/Homoaromaticity in Main Group Inorganic Molecules
J. Am. Chem. Soc., 2009, 131, 9789–9799.
Featured by
Rzepa, H. S. The importance of being bonded, Nature Chemistry, 2009, 1, 510-512.
Yafei Li, Zhen Zhou,* Yongsheng Chen, Zhongfang Chen*
Do All Wurtzite Nanotubes Prefer Faceted Ones?
J. Chem. Phys. 2009, 130, 204706.
Lu Wang, Jijun Zhao,* Zhen Zhou, S. B. Zhang, Zhongfang Chen*
First-Principles Study of Molecular Hydrogen Dissociation on Doped Al12X (X= B, Al, C, Si, P, Mg, Ca)
Clusters
J. Comp. Chem. 2009, 30, 2509.
Cheng-Gen Zhang, Renwu Zhang, Zhi-Xiang Wang,* Zhen Zhou,* S. B. Zhang, Zhongfang Chen*
Ti-Substituted Boranes as Hydrogen Storage Materials: A Computational Quest for Ideal Combination of
Stable Electronic Structure and Optimal Hydrogen Uptake
Chem. Eur. J. 2009, 15, 5910-5919.
Highlighted as frontispiece
Ming Li, Yafei Li, Zhen Zhou,* Panwen Shen, Zhongfang Chen*
Ca-Coated Boron Fullerenes and Nanotubes as Superior Hydrogen Storage Materials
Nano Lett., 2009, 9, 1944.
Yafei Li, Zhen Zhou,* Panwen Shen, S. B. Zhang, Zhongfang Chen*
Computational Studies on Hydrogen Storage in Aluminum Nitride Nanowires/tubes
Nanotechnology 2009, 20. 215701.
Xingfa Gao, Kazuya Ishimura, Shigeru Nagase,* Zhongfang Chen*
Dichlorocarbene Addition onto C60 from the Trichloromethyl Anion: Carbene Mechanism or Bingel
Mechanism?
J. Phys. Chem. A, 2009, 113, 3673–3676.
Yafei Li, Zhen Zhou,* Shengbai Zhang, Zhongfang Chen*
MoS2 Nanoribbons: High Stability, Unusual Electronic and Magnetic Properties
J. Am. Chem. Soc. 2008, 130, 16739.
Lian Sun, Yafei Li, Zhenyu Li, Qunxiang Li, Zhen Zhou, Zhongfang Chen, Jinlong Yang, J. G. Hou
Electronic Structures of SiC Nanoribbons
J. Chem. Phys. 2008, 129, 174114.
88
Yanyan Liu, Peiju Yang, Jie Yu, Xiao-Juan Yang, Jun D. Zhang, Zhongfang Chen, Henry F. Schaefer III,
Biao Wu
Sodium and Magnesium Complexes with Dianionic α-Diimine Ligands
Organometallics 2008, 27, 5830.
87
Zhongfang Chen,* Haijun Jiao, Judy I. Wu, Rainer Herges, S. B. Zhang, Paul von Ragué Schleyer*
Homobenzene: Homoaromaticity and Homoantiaromaticity in Cycloheptatrienes
J. Phys. Chem. A. 2008,112, 10586.
86
Zhen Zhou,* Yafei Li, Lu Liu, Yongsheng Chen, S. B. Zhang, Zhongfang Chen*
Size- and Surface-Dependent Stability, Electronic Properties, and Potential as Chemical Sensors:
Computational Studies on One-Dimensional ZnO Nanostructures
J. Phys. Chem. C. 2008, 112, 13926.
85
Xingfa Gao, Zhen Zhou, Yuliang Zhao, Shigeru Nagase,* S. B. Zhang, Zhongfang Chen *
Comparative Study of Carbon and BN Nanographenes: Ground Electronic States and Gap Energy
Engineering
J. Phys. Chem. C. 2008, 112, 12677-12682.
Highlighted as cover picture of J. Phys. Chem C. (Aug. 21, 2008)
At University of Georgia and Rensselaer Polytechnic Institute as a postdoc and a research faculty
84
J. David Zhang, Zhongfang Chen, Henry F. Schaefer III
Electron Attachment to the Hydrogenated Watson-Crick Guanine Cytosine Base Pair (GC+H):
Conventional and Proton Transferred Structures
J. Phys. Chem. A. 2008, 112, 6217.
83
Jinlan Wang,* Xiuyun Zhang, Paul von Ragué Schleyer, Zhongfang Chen*
Density Functional Theory Studies of Inorganic Metallocene Multi-decker Vn(P6)n+1 (n = 1-4) Sandwich
Clusters
J. Chem. Phys. 2008, 128, 104706.
82
J. David Zhang, Zhongfang Chen, R. Bruce King, Henry F. Schaefer III
Comparison of Isoelectronic Heterometallic and Homometallic Binuclear Cyclopentadienylmetal
Carbonyls: The Iron-Nickel versus the Dicobalt Systems
Eur. J. Inorg. Chem., 2008, 1219.
81
Zhen Zhou,* Jijun Zhao, Paul v. R. Schleyer, Zhongfang Chen*
Insertion of C50 into Single-Walled Carbon Nanotubes: Selectivity in Interwall Spacing and C50 Isomers
J. Comput. Chem. 2008, 29, 781.
80
Xiaolan Zhou, Jijun Zhao, Xiaoshuang Chen,Wei Lu, Ruihua Xie, Zhongfang Chen, R. Bruce King
From molecules to nanoscale materials: the structural and electronic properties of small gallium arsenide
clusters up to Ga9As9
J. Comput. Theor. Nanosci. 2008, 5, 70.
79
Yafei Li, Zhen Zhou,* Dmitri Golberg, Yoshio Bando, Paul v. R. Schleyer, Zhongfang Chen*
Stone-Wales Defects in Single-Walled BN Nanotubes-Formation Energies, Electronic Structures and
Reactivity
J. Phys. Chem. C. 2008, 112, 1365.
78
Zhi-Xiang Wang, Cheng-Gen Zhang, Zhongfang Chen, Paul v. R. Schleyer
Planar Tetracoordinate Carbon Species Involving Beryllium
Inorg. Chem. 2008, 47, 1332.
77
Zhongfang Chen,* De-en Jiang,* Xin Lu, Holger F. Bettinger, Sheng Dai, Paul v. R, Schleyer, Kendall
N. Houk
Open-Shell Singlet Character of Cyclacenes and Short Zigzag Nanotubes
Org. Lett. 2007, 9, 5449.
76
Sven Neukermans, Nele Veldeman, Ewald Janssens, Peter Lievens, Zhongfang Chen, Paul v. R. Schleyer
Combined Experimental and Theoretical Study of Small Aluminum Oxygen Clusters
Eur. J. Phys. D. 2007, 45, 301.
75.
Zhen Zhou,* Jijun Zhao, Yongsheng Chen, Paul v. R. Schleyer, Zhongfang Chen*
Energetics and Electronic Structures of AlN Nanotubes/Wires and their Potential Application as Ammonia
74.
73.
72.
71.
70.
69.
68.
67.
66.
65.
64.
63.
62.
61.
Sensors
Nanotechnology 2007, 18, 424023.
Keigo Ito, Zhongfang Chen, Clémence Corminboeuf, Chaitannya S. Wannere, Qian Shu Li, Xiu Hui
Zhang, Paul v. R. Schleyer
Myriad Planar Hexacoordinate Carbon Molecules Inviting Synthesis
J. Am. Chem. Soc. 2007, 129, 1510.
Highlighted by
Chem. & Eng. News (August 13 issue, 2007).
Frank Hauke, Zhongfang Chen, Andreas Hirsch
Complete Assignment of All 13C NMR Signals of Cs Symmetric Monoazafullerene Derivatives by
Comparison of Experimental and Calculated Spectra
Polish J. Chem. 2007, 81, 971. (solicited contribution)
Zhen Zhou,* Jijun Zhao, Zhongfang Chen,* Paul v. R. Schleyer
Atomic and Electronic Structures of Fluorinated BN Nanotubes - Computational Study
J. Phys. Chem. B. 2006, 110, 25678.
Zhongfang Chen,* Sven Neukermans, Xin Wang, Ewald Janssens, Zhen Zhou, Roger E. Silverans,
R. Bruce King, Paul v. R. Schleyer, Peter Lievens*
To Achieve Stable Spherical Clusters: General Principles and Experimental Confirmations”
J. Am. Chem. Soc. 2006, 128, 12829.
Jijun Zhao, Bin Wen, Zhen Zhou, Tingju Li, Zhongfang Chen, Paul. v. R. Schleyer, John R. H. Xie
Novel Carbon Nanotube Peapods Encapsulating Au32 Golden Fullerene.
J. Comput. Theor. Nanosci. 2006, 3, 459.
Zhen Zhou,* Jijun Zhao, Zhongfang Chen*, Xueping Gao, Tianying Yan, Paul v. R. Schleyer
Comparative Study of Hydrogen Adsorption on Carbon and BN Nanotubes
J. Phys. Chem. B. 2006, 110, 13363.
Zhen Zhou, Jijun Zhao, Zhongfang Chen, Xueping Gao, Jian Ping Lu, Paul v. R. Schleyer, Chih-Kai
Yang
True Nanocable Assemblies with Insulating BN Nanotube Sheaths and Conducting Cu Nanowire Cores
J. Phys. Chem. B. 2006, 110, 2529.
Zdenk Slanina, Zhongfang Chen*, Paul v. R. Schleyer, Filip Uhlík, Xin Lu,* and Shigeru Nagase
La2@C72 and Sc2@C72: Computational Characterizations
J. Phys. Chem. A. 2006, 110, 2231.
Xiaojuan Yang, Yuzhong Wang, Brandon Quillian, Pingrong Wei, Zhongfang Chen, Paul v. R. Schleyer,
and Gregory H. Robinson
Syntheses, Structures, and Bonding of Cp2M(ER)2 Compounds (Cp = C5H5; M = Ti, Zr; E = Ga, In; R
=C6H3-2,6-(2,4,6-i-Pr3C6H2)2)
Organometallics 2006, 25, 925.
Jijun Zhao,* Bin Wen, Zhen Zhou, Jinlan Wang, Zhongfang Chen*, Paul v. R. Schleyer
Reduced Lithium Diffusion Barriers in Composite BC3 Nanotubes
Chem. Phys. Lett. 2005, 415, 323.
Jinlan Wang, Julius Jellinek, Jijun Zhao, Zhongfang Chen, R. Bruce King, P. v. R. Schleyer
Hollow Cages versus Space-filled Structures for Medium-Sized Gold Clusters: the Spherical Aromaticity
of the Au50 Cage
J. Phys. Chem. A. 2005, 109, 9265.
Highlighted
as cover picture of J. Phys. Chem A. (Oct. 20, 2005)
Shaohua Huang, Zuo Xiao, Fudong Wang, Jiang Zhou, Gu Yuan, Shiwei Zhang, Zhongfang Chen*,
Walter Thiel, Paul v. R. Schleyer, Xiang Zhang, Xiangqing Hu, Bichu Chen, Liangbing Gan*
Preparation of [5,6] and [6,6] Oxa-homofullerene Derivatives and their Interconversion through Lewis
Acid Assisted Reactions of Fullerene-mixed Peroxides
Chem. Eur. J. 2005, 11, 5449.
Zhi-Xiang Wang, Zhongfang Chen, Haijun Jiao, Paul v. R. Schleyer
Isolobal Boron Carbonyl Carbocation Analogs
J. Theor. Comp. Chem. 2005, 4, 669. (solicited contribution)
Yuzhong Wang, Brandon Quillian, Xiao-Juan Yang, Pingrong Wei, Zhongfang Chen, Chaitanya S.
60.
59.
58.
57.
56.
55.
54.
53.
52.
51.
50.
49.
Wannere, Paul v. R. Schleyer, Gregory H. Robinson
A Zirconocene-Complexed Dibismuthene: Cp2Zr(BiR)2 (Cp = C5H5; R = C6H3-2,6-Mes2)
J. Am. Chem. Soc. 2005, 127, 7672.
Highlighted by
Chemical & Engineering News, (as Science Concentrates) (2005, May 16, Page 33)
Jijun Zhao,* Zhongfang Chen,* Zhen Zhou, Hyoungki Park, Paul v. R. Schleyer, Jian Ping Lu
Engineering the Electronic Structures of Single-Walled Carbon Nanotubes by Chemical
Functionalizations
ChemPhysChem 2005, 6, 598-601.
Highlighted
as cover picture of ChemPhysChem (2005, April issue)
Claire Castro, Zhongfang Chen, Chaitanya S. Wannere, Haijun Jiao, William L. Karney, Michael
Mauksch, Ralph Puchta, Nico J. R. van Eikema Hommes, Paul v. R. Schleyer
Investigation of a Putative Möbius Aromatic Hydrocarbon. The Effect of benzannelation on Möbius
[4n]Annulene Aromaticity
J. Am. Chem. Soc. 2005, 127, 2425.
Highlighted by
Nachrichten aus der Chemie (2005, Mar., page 503) and the official website of American Chemical
Society: www.chemistry.org
Stefan Erhardt, Gernot Frenking, Zhongfang Chen, and Paul v. R. Schleyer
Aromatic Boron Wheels With More Than One Carbon Atom in the Center: C2B8, C3B93+ and C5B11+
Angew. Chem. Int. Ed. 2005, 44, 1078.
Highlighted
as cover picture of Journal of Computational Chemistry
Zhen Zhou,* Jijun Zhao, Xueping Gao, Zhongfang Chen,* Jie Yan, Paul v. R. Schleyer, Masahiko
Morinaga
Do Composite Single-Walled Nanotubes Have Enhanced Capability for Lithium Storage?
Chemistry of Materials 2005. 17, 992.
Xin Lu,* Zhongfang Chen,* Paul v. R. Schleyer
Are Stone-Wales Defect Sites Always More Reactive than Perfect Sites in the Sidewalls of Single-Walled
Carbon Nanotubes?
J. Am. Chem. Soc. 2005, 127, 20.
Sven Neukermans, Ewald Janssens, Xin Wang, Nele Veldeman, Zhongfang Chen, Paul v. R. Schleyer ,
Roger E. Silverans, Peter Lievens
21+1 Is a Lucky Number: Highly Symmetric Doped Clusters
Physicalia Magazine 2004, 26, 319.
Feng Long Gu, Zhongfang Chen, Haijun Jiao, Wei Quan Tian, Yuriko Aoki, Walter Thiel, Paul v. R.
Schleyer
Study on the Optical and Magnetic Properties of C48N12 Azafullerene Isomers
Phys. Chem. Chem. Phys. 2004, 6, 4566.
Xin Lu,* Zhongfang Chen,* Walter Thiel, Paul v. R. Schleyer, Rongbin Huang, Lansun Zheng
Properties of Fullerene[50] and D5h Decachlorofullerene[50]: A Computational Study
J. Am. Chem. Soc. 2004, 126, 14871.
R. Bruce King, Zhongfang Chen, Paul v. R. Schleyer
Structure and Bonding in the Omnicapped Truncated Tetrahedral Au20 Cluster: Analogies between Gold
and Carbon Cluster Chemistry
Inorg. Chem. 2004, 43, 4564.
Zhongfang Chen*
The Smaller Fullerene C50, Isolated as C50Cl10
Angew. Chem. Int. Ed. 2004, 43, 4690.
R. H. Xie, G. Bryant, G. Sun, T. Kar, Zhongfang Chen, V. H. Smith, Jr., Y. Araki, N. Tagmatarki, H.
Shinohara, O. Ito
Tuning Spectral Properties of Fullerenes by Substitutional Doping
Phys. Rev. B 2004, 69, 201403.
Sven Neukermans, Ewald Janssens, Zhongfang Chen, R.E. Silverans, Peter Lievens, Paul v. R. Schleyer
Extremely Stable Metal-Encapsulated AlPb10+ and AlPb12+ Clusters: Mass Spectrometric Discovery and
Density Functional Theory Study
Phys. Rev. Lett. 2004, 92, 163401.
48.
Zhongfang Chen,* Shigeru Nagase, Andreas Hirsch, Robert C Haddon, Walter Thiel, Paul v. R.
Schleyer*
Side-Wall Opening of Single-Wall Carbon Nanotubes (SWCNTs) by Chemical Modification: A Critical
Theoretical Study
Angew. Chem. Int. Ed. 2004, 43, 1552.
At Max-Planl Institute and University of Erlangen- Nürnberg, Germany, as a postdoc
47.
Zhongfang Chen,* Thomas Heine,* Haijun Jiao, Andreas Hirsch, Walter Thiel, Paul v. R. Schleyer
Theoretical Studies on the Smallest Fullerene: from Monomer to Oligomers and Solid states
Chem. Eur. J. 2004, 10, 963.
46.
Zhongfang Chen,* Andreas Hirsch, Shigeru Nagase, Walter Thiel, Paul v. R. Schleyer*
Spherical Sila- and Germa-Homoaromaticity
J. Am. Chem. Soc. 2003, 125, 15507.
Highlighted by
Chemical & Engineering News (C&EN) (2004, March 1, page 29)
Chemical & Engineering News (C&EN) (2003, Dec. 15, Page 26)
45.
Zhongfang Chen,* Liam R. Sutton, Damian Moran, Andreas Hirsch,* Walter Thiel, Paul v. R. Schleyer
A Theoretical and Structural Investigation of Thiocarbon Anions
J. Org. Chem. 2003, 68, 8808.
44.
Zhongfang Chen, Clémence Corminboeuf, Thomas Heine, Jon Bohmann, Paul v. R. Schleyer
Do All-Metal Antiaromatic Clusters Exist?
J. Am. Chem. Soc. 2003, 125, 13930.
Highlighted by
Chemical & Engineering News (C&EN) (2003, Dec. 15, Page 23-26)
Nachrichten aus der Chemie (2003, Feb, page 121)
reported in Chemistry Highlights of 2003 (C&EN) (2003,Dec. 22, page 45)
43.
Zhongfang Chen,* Haijun Jiao, Damian Moran, Andreas Hirsch, Walter Thiel, Paul v. R. Schleyer
Aromatic Stabilization in Heterofullerenes C48X12 (X = N, P, B, Si)
J. Phys. Org. Chem. 2003, 16, 726. (solicited contribution)
42.
Damian Moran, H. Lee. Woodcock, Zhongfang Chen, Henry F., Schaefer III, P. v. R.
Schleyer
On the Viability of Small Endohedral Hydrocarbon Cage Complexes: X@C4H4, X@C8H8, X@C8H14,
X@C10H16, X@C12H12, and X@C16H16.
J. Am. Chem. Soc. 2003, 125, 11442.
41.
Tamar Sternfeld, Carlo Thilgen, Zhongfang Chen, Siefke Siefken, P. v. R. Schleyer, Walter Thiel,
Francois Diederich, Mordecai Rabinovitz
Fullerene Anions of Different Sizes and Shapes: A 13C NMR and Density-Functional Study.
J. Org. Chem. 2003, 68, 4850.
40.
Zhongfang Chen, Haijun Jiao, Damian Moran, Andeas Hirsch, Walter Thiel, Paul v. R. Schleyer,
Structures and Stabilities of Endo- and Exohedral Dodecahedrane Complexes (X@C20H20 and XC20H20, X
= H+, H, N, P, C-, Si-, O+, S+).
J. Phys. Chem. A 2003, 107, 2075.
39.
Zhongfang Chen,* Haijun Jiao, Gotthard Seifert, Anselm H. C. Horn, Dengke Yu, Tim Clark,
Walter Thiel, Paul v. R. Schleyer
The Structure and Stability of Si60 and Ge60 Cages: A Computational Study
J. Comput. Chem. 2003, 24, 948.
38.
Zhongfang Chen, Andreas Hirsch, Walter Thiel
Reactivity of the Convex and Concave Surfaces of Single-Walled Carbon Nanotubes (SWCNTs) towards
Addition Reactions: Dependence on the Carbon Atom Pyramidalization
ChemPhysChem 2003, 4, 93-97.
37.
Zhongfang Chen, Walter Thiel
Performance of Semiempirical Methods in Computational Fullerene Chemistry – Relative Energies and
Endohedral Chemical Shifts
Chem. Phys. Lett. 2003, 367,15.
36.
Haijun Jiao, Zhongfang Chen,* Andreas Hirsch, Walter Thiel
Structures and Magnetic Properties of Mono-Doped Fullerenes C59Xn and C59X(6-n)- (X = B–, N+, P+, As+,
Si) – Isoelectronic Analogues of C60 and C606J. Mol. Mod. 2003, 9, 34.
35.
Zhongfang Chen, Haijun Jiao, Andreas Hirsch, Paul v. R. Schleyer
Spherical Homoaromaticity
Angew. Chem. Int. Ed. 2002, 41, 4309.
34.
Haijun Jiao, Zhongfang Chen,* Andreas Hirsch,* Walter Thiel
Oxa- and Thia-Fullerenes (C59O, C59S): Closed or Opened Cages?
Phys. Chem. Chem. Phys 2002, 4, 4916.
33.
Zhongfang Chen,* Guichang Wang, Xuezhuang Zhao, Auchin Tang
Isomerism and Aromaticity of Heterofullerenes C70-nPn (n=2-10)
J. Mol. Mod. 2002, 8, 223.
32.
Zhongfang Chen, Haijun Jiao, Michael Bühl, Andreas Hirsch, Walter Thiel
Ab initio and DFT Structures and Magnetic Properties of Smaller Fullerenes and Their Doped Analogues
Theoretical Chemistry Accounts 2001, 106, 352.
31.
Zhongfang Chen, Jerzy Cioslowski, Niny Rao, David Moncrieff, Michael Bühl, Andreas Hirsch, Walter
Thiel
Endohedral Chemical Shifts of Higher Fullerenes C72 ~ C86
Theoretical Chemistry Accounts 2001, 106, 364.
30.
Andreas Hirsch, Zhongfang Chen, Haijun Jiao
Spherical Aromaticity of Inorganic Cage Molecules
Angew. Chem. Int. Ed. 2001, 40, 2834.
29.
Zhongfang Chen, Haijun Jiao, Andreas Hirsch, Walter Thiel
BN-Doped Fullerenes: A NICS Characterization
J. Org. Chem. 2001, 66, 3902.
28.
Zhongfang Chen, Haijun Jiao, Andreas Hirsch, Walter Thiel
The 2(N+1)2 Rule for Spherical Aromaticity – Further Validation
J. Mol. Mod. 2001, 7, 161.
27.
Zhongfang Chen, Uwe Reuther, Andreas Hirsch, Walter Thiel
Theoretical Studies on the Substitution Patterns in Heterofullerenes C70-xNx and C70-xBx (x=2~10)
J. Phys. Chem. A 2001, 105, 8105.
26.
Andreas Hirsch, Zhongfang Chen, Haijun Jiao
Spherical Aromaticity in Ih-Symmetrical Fullerenes: the 2(N+1)2-Rule
Angew. Chemie. Int. Ed. 2000, 39, 3915.
25.
Zhongfang Chen, Haijun Jiao, Andreas Hirsch, Walter Thiel
Fullerenes C36n (n = 0, 2+, 2-) and Their B- and N-Doped Analogues
Chem. Phys. Lett. 2000, 329, 47.
At Nankai University as a PhD student
24.
Zhongfang Chen, Keqin Ma, Guichang Wang, Xuezhuang Zhao, Auchin Tang
Structures, Stabilities of C60(OH)4, C60(OH)6 Fullerenols
J. Mol. Struct. (Theochem) 2000, 498 , 227.
23.
Zhongfang Chen, Xuezhuang Zhao, Auchin Tang
Theoretical Studies on the Substitution Patterns in Heterofullerenes C60-xNx and C60-xBx (x=2~8)
J. Phys. Chem. A. 1999,103, 10961.
22.
Zhongfang Chen, Xuezhuang Zhao, Auchin Tang et al.
Semi-Empirical Calculations on the BN Substituted Fullerenes C60-2x(BN)x (x=1-3)- Isoelectronic
Equivalents of C60
J. Mol. Struct. (Theochem) 1999, 466, 127.
21.
Zhongfang Chen, Keqin Ma, Yinming Pan, Xuezhuang Zhao, Auchin Tang
Theoretical Studies of Heterofullerenes C68X2 (X=N,B)
Can. J. Chem. 1999, 77, 291.
20.
19.
18.
17.
16.
15.
14.
13.
12.
11.
10.
9.
8.
7.
6.
5.
4.
3.
Zhongfang Chen, Keqin Ma, Yinming Pan, Xuezhuang Zhao, Auchin Tang
Theoretical Studies on the BN Substituted Fullerenes C70-2x(BN)x (x=1-3) -Isoelectronic Equivalents of
C70
J. Mol. Struct. (Theochem) 1999, 490, 61.
Zhongfang Chen, Xuezhuang Zhao, Auchin Tang et al.
Calculations on All Possible Isomers of the Substituted Fullerenes C58X2(X=N,B) Using Semi-Empirical
Methods
J. Chem. Soc. Faraday Trans. 1998, 94, 2269.
Zhongfang Chen, Xuezhuang Zhao, Auchin Tang et al.
Theoretical Studies on the Substituted Fullerene C60-x-yBxNy (x+y=2)
J. Mol. Struct. (Theochem) 1998, 452, 219.
Zhongfang Chen, Xuezhuang Zhao, Auchin Tang et al.
Theoretical Studies on the Stabilities of some C60 Bisadducts
Chemical Journal of Chinese Universities 2000, 21, 1127. (in Chinese)
Zhongfang Chen, Fangxing Li, Hongxi Zhao, Guichang Wang
Theoretical Studies on the Effect of Doping Ions on the Regiochemistry of [70]fullerene
Acta Scientiarum Naturalium Universitatis Nankaiensis 2000, 33, 7.
Zhongfang Chen, Xuezhuang Zhao, Auchin Tang et al.
Theoretical Studies on the Substituted Fullerene C58BN
Chemical Journal of Chinese Universities 1999, 20, 260. (in Chinese)
Zhongfang Chen, Xuezhuang Zhao, Auchin Tang et al.
Theoretical Studies on the Heterofullerenes C59Si and C69Si
Acta Chimica Sinica 1999, 57, 712. (in Chinese)
Shuwei Xia, Zhenfeng Shang, Zhongfang Chen, Xuezhuang Zhao, Auchin Tang
Theoretical Studies on the Structures and Electronic Spectra of Various Isomers of C70O2
Chemical Journal of Chinese Universities 1999, 20, 762. (in Chinese)
Zhongfang Chen, Keqin Ma, Yinming Pan, Xuezhuang Zhao, Auchin Tang
MNDO Studies of P-doped Fullerenne C58P2
Chemical Journal of Chinese Universities 1999, 20, 1921. (in Chinese)
Fangxing Li, Keqin Ma, Zhongfang Chen et al.
Studies on Purification of Cresol-Rich Waste Water by Two Steps
Ion Exchange and Adsorption 1999, 15, 163. (in Chinese)
Zhongfang Chen, Xuezhuang Zhao, Auchin Tang et al.
Spectra of Some Higher Fullerenes and their HPLC Characteristics
Acta Chimica Sinica, 1999, 57, 53. (in Chinese)
Zhongfang Chen, Xuezhuang Zhao, Auchin Tang et al.
Theoretical Studies on the Structures and Electronic Spectra of Two [2+2] Photoadducts of Cyclic Enones
to C60- C66H8O and C67H10O
Chinese Journal of Structural Chemistry, 1998, 17, 165. (in Chinese)
Zhongfang Chen, Xuezhuang Zhao, Auchin Tang et al.
Synthesis, Characterization and Quantum Chemical Studies on C60 Leucine Derivative
Chemical Journal of Chinese Universities,1998, 19, 1623. (in Chinese)
Fangxing Li, Keqin Ma, Zhongfang Chen
Synthesis and Determination of Solubility of (o-CRESOL)2Ba
Acta Scientiarum Naturalium Universitatis Nankaiensis 1998, 31, 60. (in Chinese)
Zhongfang Chen, Xuezhuang Zhao, Auchin Tang et al.
Quantum Chemical Studies on the Structures and Spectra for the Addition Products C64N2H8
Chemical Research and Application 1998, 10, 38. (in Chinese)
Zhongfang Chen, Xuezhuang Zhao, Auchin Tang et al.
Synthesis and Characterization of Lysine C60 Adduct and its Cu(II) Complexes
Acta Scientiarum Naturalium Universitatis Nankaiensis 1998, 31, 89. (in Chinese)
Zhongfang Chen, Xuezhuang Zhao, Auchin Tang et al.
Quantum Chemical Studies on the Structures and Spectra of C67H6O2
Acta Scientiarum Naturalium Universitatis Nankaiensis 1997, 30, 88. (in Chinese)
Zhongfang Chen, Xuezhuang Zhao, Auchin Tang et al.
2.
1.
Quantum Chemical Studies on the Structures and Spectra of Some C60 Cycloadducts
Journal of Molecular Science, 1997, 13, 151. (in Chinese)
Zhongfang Chen, Xuezhuang Zhao, Auchin Tang et al.
Quantum Chemical Studies on the Structures and Spectra for the Addition Product HC60CH2C6H5
Chemical Journal of Chinese Universities, 1997,18,1345. (in Chinese)
Zhongfang Chen, Hongxi Zhao, Keqin Ma, Xuezhuang Zhao
A Review on Buckyball, Buckytube and Buckyonion
Tianjin Chemical Engineering, 1996, 4, 2. (in Chinese)