8
PUBLICATIONS
Books:
J. Ladik, J.M. Andre, and M. Seel editors, "Quantum Chemistry of Polymers - Solid State
Aspects" Reidel, Dordrecht (1984).
Journal Articles:
1. J. Ladik and M. Seel, Electronic Structure of Aperiodic Polymers. I. The Average-Matrix
Method and the Effect of a Cluster of Impurities on the Band Structure of a Periodic System,
Phys. Rev. B 13, 5338 (1976).
2. K. Laki, M. Seel and J. Ladik, Conformation of Triphosphate and Lysine-TriphosphateArginine Complex, J. Theor. Biol. 67, 489 (1977).
3. M. Seel, T. C. Collins, F. Martino, D. K. Rai and J. Ladik, (SN)x with Hydrogen Impurities
in the Coherent Potential Approximation, Phys. Rev. B 18, 6460 (1978).
4. J. Ladik, S. Suahi, and M. Seel, The Electronic Structure of Biopolymers and Possible
Mechanisms of Chemical Carcinogenesis, Int. J. Quant. Chem. QB Symp. 5, 35 (1978).
5. P. Otto, M. Seel, J. Ladik and R. Muller, From Retrospective to Predictive StructureActivity Correlations, J. Theor. Biol. 78, 197 (1979).
6. P. Otto, M. Seel, J. Ladik, G. Redl and R. Muller, Von retrospektiven zu vorhersagenden
Struktur-Aktivitats-Korrelationen, in "Quantitative Structure-Activity Analysis", R. Franke
and P. Oehme, eds. (Akademie Verlag, Berlin, 1978), p. 427.
7. M. Seel and J. Ladik, Quaternionic Molecular Orbitals Approach to Electron Correlation,
Chem. Phys. 39, 65 (1979).
8. M. Seel, Electronic Spectra of Aperiodic Protein Model Chains, Chem. Phys. 43, 103 (1979).
9. M. Seel and J. Ladik, Calculations of One-Dimensional Aperiodic Chains in the SelfConsistent Virtual Crystal Approximation with Random Diagonal and Off-Diagonal
Elements, Chem. Phys. 45, 349 (1980).
10. M. Seel and T. C. Collins, A Critical Study of the Molecular Tight-Binding Ansatz in the
Quantum Theory of Molecular Crystals, J. Phys. C 13, 765 (1980).
11. J. Ladik and M. Seel, On the Theory of Disordered Systems: CPA Calculation on (SN)x
with Hydrogen Impurities and Hartree-Fock Theory of Surface States of 3-D Crystals, in
"Electrons in Disordered Metals and at Metallic Surfaces", P. Phariseau, B. L. Gyorffy and
L. Scheire, eds. (Plenum, New York - London, 1979) p. 529.
12. M. Seel, Disordered Systems, in "Advances in the Quantum Theory of Polymers", J. M.
Andre, J. L. Bredas, J. Delhalle, J. Ladik, G. Leroy and C. Moser, eds. (Springer, Berlin,
1980) p. 271.
9
13. J. Ladik, S. Suhai and M. Seel, Electronic Structure of Some Simple Polymers and of Highly
Conducting and Biopolymers, J. Am. Chem. Soc. 21, 118 (1980).
14. J. Ladik, S. Suhai and M. Seel, Biopolymer Electronic Phenomena, in "Polymers, Liquid
Crystals and Low Dimensional Systems", N. H. March and M. P. Tosi, eds. (Plenum, New
York, 1984) p. 523.
15. M. Seel, From Molecular Crystals and Organic Polymers to Chemisorption Processes: The
Importance of Local Interactions, Int. J. Quant. Chem. 19, 1083 (1981).
16. P. S. Bagus and M. Seel, Molecular Orbital Cluster Model Study of the Core Level
Spectrum of CO Absorbed on Copper, Phys. Rev. B 23, 2065 (1981).
17. M. Seel and P. S. Bagus, Adsorption and Surface Penetration of Atomic Hydrogen at the
Open Site of Si(111): An ab initio Cluster Model Study, Phys. Rev. B 23, 5464 (1981).
18. P. S. Bagus, K. Hermann and M. Seel, Bonding and Photoemission of Chemisorbed
Molecules: Molecular Orbital Cluster Model Theory, J. Vac. Sci. Techn. 18, 435 (1981).
19. M. Seel, G. Del Re and J. Ladik, Quasi-One-Dimensional Systems and Localized Defects:
Some Results of the Green Matrix Formalism, J. Comp. Chem. 3, 451 (1982).
20. M. Seel, P. S. Bagus and J. Ladik, CI Calculations on Metallic and Molecular Hydrogen
Rings, J. Chem. Phys. 77, 3123 (1982).
21. B. Gazdy, R. S. Day, M. Seel, F. Martino and J. Ladik, Calculation of Eigenvectors for
Quasi-One-Dimensional Disordered Systems, Chem. Phys. Letters 88, 220 (1982).
22. T. C. Collins, M. Seel, J. Ladik, M. Chandrasekhar and H. R. Chandrasekhar, Theoretical
Studies of Possible Excitonic Superconducting State in CuC1 and CdS, Phys. Rev. B 27,
140 (1983).
23. M. Seel and J. Ladik, The Tragicomedy of Modern Theoretical Biology, in "Abstracts of the
7th International Congress of Logic, Methodology and Philosophy of Science",
P. Weingartner, ed. (Hutteger OHG, Salzburg, Austria, 1983) Vol. 4, p. 348.
24. M. Seel, Self-Consistent Energy Bands in Aluminum and Electronic Surface States and
Resonances on the (001) Surface, Phys. Rev. B 28, 778 (1983).
25. M. Seel and P. S. Bagus, Ab initio Cluster Study of the Interaction of Fluorine and
Chlorine with the Si(111) Surface, Phys. Rev. B 28, 2023 (1983).
26. M. Seel and P. S. Bagus, Comment on "Energy-Loss Spectroscopy Studies on the
Adsorption of Hydrogen on Cleaved Si(111)-(2x1) Surfaces", Phys. Rev. B 29, 1070 (1984).
27. B. Gazdy, M. Seel and J. Ladik, The Role of Self-Consistency in Quasi-One-Dimensional
Systems, Chem. Phys. 86, 41 (1984).
28. M. Seel, Reconciling Charged Polarons with the Anomalously Small Curie-Law
Susceptibility in Lightly Doped Trans-Polyacetylene, Solid State Comm. 52, 467 (1984).
10
29. M. Seel, The Effect of Non-Interacting Impurities in Quasi-One-Dimensional Systems:
Green's Function and Cluster Model Approach in Comparison, Int. J. Quant. Chem. 26, 752
(1984).
30. T. C. Collins, M. Chandrasekhar and M. Seel, A Review of a Theoretical Model of the
Excitonic Superconducting in CdS and CuC1, Int. J. Quant. Chem. 26, 831 (1984).
31. P. S. Bagus, C. W. Bauschlicher, C. J. Nelin, B. C. Laskowski and M. Seel, A Proposal for
the Proper Use of Pseudopotentials in Molecular Orbital Cluster Model Studies of
Chemisorption, J. Chem. Phys. 81, 3594 (1984).
32. J. Ladik and M. Seel, Possibilities for the Mathematical Modelling of Selfregulation in Cells
and Systems of Cells, in "Proceedings of the Orwellian Symposium and International
Conference on System Research, Informatics and Cybernetics, Baden-Baden, 1984", G.E.
Lasker, ed. (accepted).
33. H. Wendel, P. Otto, M. Seel and J. Ladik, Ab initio Hartree-Fock Calculations of Spin
Densities Associated with Bond Alternating Defects and End Effects in Trans-Polyacetylene,
Solid State Comm. 54, 551 (1985).
34. A. Peluso, M. Seel and J. Ladik, Self-Consistent-Field Calculation of the Vibrational
Spectrum of Undoped and Doped Trans-Polyacetylene, Can. J. Chem. 63, 1553 (1985).
35. A. Peluso, M. Seel and J. Ladik, The Infared and Raman Spectrum of Trans-Polyacetylene:
A Self-Consistent-Field Study, Solid State Comm. 53, 893 (1985).
36. J. Ladik and M. Seel, Perturbation of Cell-Selfregulation Through Oncoproteins, Int. J.
Quant. Chem. QBS 12, 235 (1985).
37. P. S. Bagus, C. W. Bauschlicher, C. J. Nelin, B. C. Laskowski and M. Seel, Reply to the
Comment on "A Proposal for the Proper Use of Pseudopotentials..." by Igel-Mann and Stoll,
J. Chem. Phys. 83, 914 (1985).
38. M. Seel and H.-J. Freund, Ab initio Band Structure of a Layer of Nitrogen Molecules
Oriented in a Herringbone Structure, Solid State Comm. 55, 895 (1985).
39. M. Seel and J. Ladik, Core Level Binding Energy Shifts Due to End Effects in Polymers:
A Hartree-Fock Green's Function Study, Phys. Rev. B 32, 5124 (1985).
40. M. Seel and J. Ladik, The Tragicomedy of Modern Theoretical Biology, in "Foundations of
Biology", P. Weingartner and G. Dorn, eds. Holder-Pichler-Tempsky, Vienna, Austria,
(1986), p. 145.
41. W. Forner, M. Seel and J. Ladik, Soliton Trapping and Repulsion Due to a CO-Group in
Trans-Polyacetylene, Solid State Comm. 57, 463 (1986).
42. W. Forner, M. Seel and J. Ladik, Influence of Substitutional Impurities on Soliton Dynamics
in Trans-Polyacetylene, J. Chem. Phys. 84, 5910 (1986).
11
43. M. Seel and G. Del Re, Accurate SCF Computations on Hydrogen Bonds: Role of
Polarization and Functions on the Bridge Hydrogen Atom, Int. J. Quant. Chem. 30, 563
(1986).
44. D. Schmeisser, I. W. Lyo, F. Greuter, E. W. Plummer, H.-J. Freund and M. Seel,
Photoemission from Ordered Physisorbed Molecular Phases: N2/Graphite, N2 and CO/Ag
(111), Ber. Bunsenges, Phys. Chem., 90 (3), 228 (1986).
45. J. Ladik, P. Otto, A. K. Bakhshi and M. Seel, Quantum Mechanical Treatment of
Biopolymers as Solids, Possible Implications for Carcinogenesis, Int. J. Quant. Chem. 29,
597 (1986).
46. J. Ladik, M. Seel, P. Otto and A. K. Bakhshi, On the Electronic Structure and Conduction
Properties of Aperiodic DNA and Proteins. I. Strategy and Methods of Investigations,
Chem. Phys. 108, 203 (1986).
47. A. K. Bakhshi, P. Otto, J. Ladik and M. Seel, On the Electronic Structure on Conduction
Properties of Aperiodic DNA and Proteins. II. Electronic Structure of Aperiodic DNA,
Chem. Phys. 108, 215 (1986).
48. P. Otto, A. K. Bakhshi, J. Ladik, M. Seel and S. Chin, On the Electronic Structure and
Conduction Properties of Aperiodic DNA and Proteins. III. The Band Structure of Periodic
Polypeptides, Chem. Phys. 108, 223 (1986).
49. A. K. Bakhshi, J. Ladik, M. Seel and P. Otto, On the Electronic Structure and Conduction
Properties of Aperiodic DNA and Proteins. IV. Electronic Structure of Aperiodic Proteins,
Chem. Phys. 108, 233 (1986).
50. M. Gies, M. Seel and J. Ladik, Comparison of Transfer and Green Matrix Method for the
Surface Problem in Periodic Chains, J. Mol. Structure (Theochem) 150, 267 (1987).
51. A. Godzik, M. Seel, W. Forner and J. Ladik, Influence of Randomly Fluctuating Forces and
Energy Dissipation on Soliton Dynamics in Trans-Polyacetylene, Solid State Comm. 60,
609 (1986).
52. W. Forner and M. Seel, A Coupled Cluster Study on the Stability of Lithium Cluster and
the Atomic Basis Set Dependence, J. Chem. Phys. 87, 443 (1987).
53. A. K. Bakshi, M. Seel and J. Ladik, Comparative Study of the Electronic Structure and
Conduction Properties of Polypyrrole, Polythiophene and Polyfurane and their Copolymers,
Phys. Rev. B 35, 704 (1987).
54. D. J. Wyble, M. Seel and J. T. Waber, Hartree-Fock Calculations of Crystalline Packing of
Small Linear Alkanes, Solid State Commun. 64, 827 (1987).
55. M. Seel, C. M. Liegener, W. Forner and J. Ladik, (AmBn)x Copolymers: A Computational
Study of Electronic and Excitonic Properties of Quasi-One-Dimensional Superlattices, Phys.
Rev. B 37, 956 (1988).
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56. G. Hennico, J. Delhalle, J.-M. Andre, M. Seel and J. Ladik, Density of Electronic States of
Regular and Disordered Model Chains of Acetylene-Carbon Monoxide Copolymers, Solid
State Comm. 64, 1257 (1987).
57. O. Fleck, M. Seel and J. Ladik, Calculation of the Band Structure of Polyglycine as a TwoDimensional Periodic System, Solid State Comm. 65, 701 (1988).
58. J. Ladik and M. Seel, Self-Consistent Field Theory for Polymers and Approximations for
Disordered Polymers, in "Self-Consistent Field: Theory and Applications", ed. by R. Carbo
and M. Klobukowski (Elsevier, Amsterdam,1990).
59. M. Seel, A. B. Kunz and D. T. Wadiak, Ab initio Study of the Interaction of
Polyoxymethylene with Polyoxymethylene, Ammonium Perchlorate and the Aluminum
(100) Surface, Phys. Rev. B 37, 8915 (1988).
60. M. Seel and S. B. Trickey, Electronic Structure of Fibonacci Copolymers and Superlattices,
Solid State Comm. 66, 537 (1988).
61. R. S. Chen, P. Otto, M. Seel and J. Ladik, Convergence of the Hartree-Fock Green Matrix
Method, Chem. Phys. 120, 177 (1988).
62. M. Seel, Atomic Clusters and Cluster Models in Solid State Physics, Int. J. Quantum Chem.
QCS 22, 265 (1988).
63. M. Seel, A. B. Kunz and S. Hill, Electronic Structure of Lithium Beryllium Hydride, Phys.
Rev. B 39, 7949 (1989).
64. M. A. Abdel-Raouf, P. Otto, C. M. Liegener, J. Ladik and M. Seel, Numerical Solutions of
the Interface Problem Between Two Quasi-One-Dimensional Systems Using a Green's
Matrix Formalism, Phys. Rev. B 40, 1450 (1989).
65. M. Seel, Green's Function Calculation of Local Perturbations and End State in Polymers,
J. Mol. Structure (Theochem) 188, 381 (1989).
66. D. T. Wadiak, M. Seel, A. B. Kunz and S. E. Hill, Stokesian Dynamics Simulation in the
Presence of van der Waals Forces, Proceedings of the 7th International Conference on
Mathematical and Computational Modelling, Chicago, 1989 (accepted).
67. A. K. Bakhshi, C.-M. Liegener, J. Ladik and M. Seel, Electronic States of Poly (thiopheneisothianaphtene) Superlattices, Synth. Metals 30, 79 (1989).
68. W. Foerner, J. Ladik, D. Hofmann, M. Seel, A. Godzik and F. Martino, Soliton Dynamics
in Alternating Trans-Polyacetylene and in Stacked Systems, J. Mol. Structure (Theochem)
188, 231 (1989).
69. R. Pandey, M. Seel and A. B. Kunz, Ab initio Study of Localization and Excitation of an
Excess Electron in Alkali Halide Clusters, Phys. Rev. B 41, 7955 (1990).
70. M. Seel and A. B. Kunz, Band Structure and Electronic Properties of Lithium Azide LiN3,
Int. J. Quantum Chemistry 39, 149 (1991).
13
71. M. Seel, D. T. Wadiak, A. B. Kunz, and S. E. Hill, Stokesian Dynamics Simulation of
Polyether-Coated Particles in a Shear Flow, Phys. Rev. A 42, 2248 (1990).
72. M. Seel and R. Pandey, Band Structure and Electronic Properties of Lithium Phosphide Li3P,
Material Research Society Symposium Proceeding Vol. 210, 155-160 (1991).
73. M. Seel, Ab initio Band Structure Studies of Beryllium and Beryllium-Hydrogen Ultra-Thin
Films, Phys. Rev. B 43, 9532-9537 (1991).
74. M. Seel and R. Pandey, Comparative ab initio Study of Electronic and Ionic Properties of
Lithium Nitride (Li3N), Lithium Phosphide (Li3P), and Lithium Arsenide (Li3As), Int. J.
Quantum Chemistry: QCS 25, 461-478 (1991).
75. M. Seel, Modeling of Solid Rocket Fuel: From Quantum Chemistry to Fluid Dynamics
Simulation, Computers in Physics 5, 460-465 (1991).
76. M. Seel and R. Pandey, Ab initio Electronic Structure of Superionic Conductor Li3P, Solid
State Ionics 924, 53-56 (1992)
77. M. Seel, Valence in Chemisorption Studies, J. Mol. Structure (Theo Chem) 260, 339-345
(1992).
78. J. E. Jaffe, R. Pandey and M. Seel, Ab initio high-pressure structural and electronic
properties of ZnS, Physical Review B 47 , 6299-6305 (1993).
79. R. Pandey, A. Sutjiano, M. Seel, and J. E. Jaffee, Electronic Structure of High Pressure
Phase of AlN, Journal of Material Research 8, 1922-27 (1993).
80. R. Pandey, M. Causa, N.M. Harrison, and M. Seel, The high-pressure phase transition of
silicon and gallium nitride: a comparative study of Hartree-Fock and density functional
calculations, Journal of Physics: Condensed Matter 8, 3993-4000 (1996).
81. M. Seel, Core-Level Shifts and Their Relation to Surface Effects and Dimensionality of a
System, Int. Journal of Quantum Chemistry 63, 623-629 (1997).
82. P. Zapol, R. Pandey, M. Seel, J.M. Recio, and M. C. Ohmer, Density Functional Study of the
Structure , Thermodynamics and Electronic Properties of CdGeAs2, J. Physics.: Condens.
Matter 11, 4517-4526 (1999).
83. P. Kar, M. Seel, U.H.E. Hansmann and S. Höfinger, Dispersion Terms and Analysis of Sizeand Charge Dependence in an Enhanced Poisson-Boltzmann Approach , J. Phys. Chem.
B,111 (2007) 8910.
84. P. Kar, M. Seel, U. H. E. Hansmann and S. Höfinger, Comparing Semi-Empirical versus
Classic Charge Assignments in BioMolecules and their Effect on Electrostatic Potentials,
in: U. H. E. Hansmann, J. Meinke, S. Mohanty, O. Zimmermann (Eds.), From
Computational Biophysics to Systems Biology (CBSB07), NIC Series Vol. 36, Jülich
(2007), p. 155-158.
85. P. Kar, M. Seel, U. H. E. Hansmann and S. Höfinger, Algorithmic Refinements to an
Enhanced Poisson-Boltzmann Approach Used in BioMolecular Simulation, in: U. H. E.
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Hansmann, J. Meinke, S. Mohanty, O. Zimmermann (Eds.), From Computational
Biophysics to Systems Biology (CBSB07), NIC Series Vol. 36, Jülich (2007), p. 173-176.
86. P.K. Valavala, D. Banyai, M. Seel, R. Pati, Self-consistent calculations of strain-induced
band gap changes in semiconducting (n,0) carbon nanotubes. Phys. Rev. B 78, 235430
(2008).
PRESENTATIONS
1. J. Ladik and M. Seel, Predictive Structure-Activity Relations, Gorden Conference on Drug
Design, Rindge, NH, (1975).
2. Methods for the Treatment of the Electronic Structure of Aperiodic Polymers, 12th
Symposium for Theoretical Chemistry, Leuenberg, Switzerland (1976).
3. The Application of the Coherent Potential Approximation to Aperiodic Polymers, 13th
Symposium for Theoretical Chemistry, Munster, W. Germany (1977).
4. Disordered Systems, CECAM workshop on Quantum Theory of Polymers, Namur, Belgium
(1979).
5. Electronic Spectra of Ordered and Disordered Protein Model Chains, 1st Annual West Coast
Theoretical Chemistry Conference, IBM, San Jose, CA (1979).
6. Theoretical Chemisorption Studies of F, Cl, and H on Si(111), IBM Research Laboratory,
San Jose, CA (1980), invited.
7. P.S. Bagus and M. Seel, Core Level Satellite Structure of Molecules Chemisorbed on
on Transition Metal Surfaces: Cluster Model Studies, Sanibel Symposium, Palm Coast,
FL (1980).
8. M. Seel and P. S. Bagus, Cluster Model Studies of the Interaction of Atomic Fluorine,
Chlorine, and Hydrogen with Si(111), Sanibel Symposium, Palm Coast, FL (1980).
9. The Cluster Model Approach in Chemisorption Theory, Colloquium on the Nature of
Binding in Molecular Associations, Atom Clusters, and Surface Phases, Sorrento, Italy
(1980), invited.
10. From Molecular Crystals and Organic Polymers to Chemisorption Processes, The
Importance of Local Interactions, Colloquium on the Nature of Binding in Molecular
Associations, Atom Clusters, and Surface Phases, Sorrento, Italy (1980), invited.
11. P. S. Bagus and M. Seel, The Chemisorption of CO on Cu: An ab initio Cluster Model
Study, European Physical Society Topical Conference on Vibrations at Surfaces, Namur,
Belgium (1980), invited.
12. M. Seel, T. C. Collins and J. Ladik, Possibility of General Spin Pairing of Electrons in
CuC1 and CdS, March Meeting of the American Physical Society, Phoenix, AZ (1981).
15
13. Cluster Model Studies on Chemisorption Processes on Si and Cu Surfaces, Free University,
Berlin, W. Germany (1981), invited.
14. SCF and CI Calculations and Metallic and Molecular Hydrogen Rings, CECAM, Paris,
France (1981), invited.
15. Chemisorption Processes on Si and Cu: What One Can Learn From Theory, University of
Naples, Italy (1981), invited.
16. Chemisorption of Halogens on Silicon Surfaces, University of Texas at Arlington, Arlington,
Texas (1982), invited.
17. The Effect of Non-Interacting Impurities in Quasi-One-Dimensional Systems, Advanced
Study Institute of Mechanisms of Elementary Physico-Chemical Processes, Sorrento, Italy
(1983), invited main lecture.
18. M. Seel and J. Ladik, The Tragicomedy of Modern Theoretical Biology, 7th International
Congress of Logic, Methodology and Philosophy of Science, Salzburg, Austria (1983).
19. Electronic Surface States and Resonances on the (001) Surface of Aluminum: A Green's
Function Study in Comparison with Experiment, 29th International Congress of Pure and
Applied Chemistry, Cologne, W. Germany (1983).
20. Dean's Negative Factor Counting Technique for the Calculation of Electronic Spectra of
Aperiodic Polymers, NATO ASI on "Quantum Chemistry of Polymers - Solid State Aspects",
Braunlage, W. Germany (1983), invited.
21. Theoretical Description of Local Defects and Surfaces. University of Missouri, Columbia,
MO (1984), invited.
22. Polyacetylene and Aluminum Surface: Application of Cluster and Green's Function
Approach, University of Texas at Arlington, Arlington, Texas (1984), invited.
23. Polarons in Trans-Polyacetylene Revisited, Allied Corporation, Morristown, New Jersey
(1984), invited.
24. Failure of the Su-Schrieffer-Heeger Model for Polarons in Polyacetylene, Xerox, Webster
Research Center, Rochester, New York (1984), invited.
25. J. Ladik and M. Seel, Possibilities for the Mathematical Modelling of Selfregulation in Cells
and Systems of Cells, Orwellian Symposium and International Conference on System
Research, Informatics and Cybernetics, Baden-Baden, W. Germany (1984).
26. Interplay Between Quantum Chemistry and Solid State Physics in Polymer and Surface
Science, Archimedes Workshop on Molecular Theory, Catania, Italy (1985), invited.
27. Quantum Chemistry in Polymer and Surface Investigations, University of Wroclaw, Poland
(1985), invited.
28. Green Operators in Perturbed Periodic Systems, Department of Mathematics, University of
Erlangen-Nurnberg, W. Germany (1986), invited.
16
29. Quantum Theory of Polymers - Combination of Theoretical Solid States Physics and
Chemistry, University of Regensburg, W. Germany (1986), invited.
30. Solid State and Quantum Chemical Aspects of Polymers, Michigan Technological
University, Houghton, MI (1986), invited.
31. Polymeric Superlattices, University of Erlangen-Nurnberg, W. Germany (1987), invited.
32. Computational Aspects of Polymers, 15th Midwest Solid State Theory Symposium, Kent
State University, Ohio (1987).
33. Atomic Clusters and Cluster Models in Solid State Physics, Sanibel Quantum Chemistry
Symposium, Marineland, Florida (1988), invited.
34. Theoretical Modeling in Process Rheology, ONR Program Review Workshop, Great Oak
Landing, Maryland (1988), invited.
35. Microscopic and Macroscopic Description of Particle-Filled Polymeric Suspensions,
CECAM Preparatory Meeting, Groningen, The Netherlands (1988), invited.
36. Electronic Structure of Polymers, University of Texas at Arlington, Arlington, TX (1989),
invited.
37. Dynamical Simulation of Particle Filled Polymer Suspensions, ONR Program Review
Workshop, Great Oak Landing, Maryland (1989), invited.
38. Computational Modeling in Continuous Processing, ONR Program Review Workshop, MIT,
Cambridge, MA (1989), invited.
39. Quantum Mechanical Calculations for Condensed Phase Nitramines, ONR Program Review
Workshop, Princeton, NJ (1989), invited.
40. Recent Applications of Quantum Chemistry in Polymer Systems, University of Naples, Italy
(1989), invited.
41. Ab initio Study of Localization and Excitation of an Excess Electron in Alkali Halide
Clusters, American Physical Society Meeting, Anaheim, CA (1990).
42. M. Seel and R. Pandey, Band Structure and Electronic Properties of Lithium Phosphide Li3P,
Material Research Society, Fall 1990 Meeting, Boston, MA (1990).
43. Comparative Study of Electronic and Ionic Properties of Lithium Nitride Li3N, Lithium
Phosphide Li3P, and Lithium Arsenide Li3As, Sanibel Symposium, St. Augustine, FL (1991),
invited.
44. Comparison of Electronic and Ionic Properties of Li3N, Li3P, and Li3As, American Physical
Society Meeting, Cincinnati, OH (1991).
45. J. E. Jaffe, R. Pandey, M. Seel, Ab initio Study of High Pressure Structural and Electronic
Properties of ZnS, American Physical Society Meeting, Indianapolis, IN (1992).
17
46. Ab initio Cluster and Green's function Approach: Coupling Quantum Chemistry and Solid
State Physics, CECAM workshop, Paris, France (1992), invited.
47. Core Level Binding Energies for 2D Li Layers, 2nd CECAM workshop, Paris, France
(1993), invited.
48. Calculation on Si phases, Sanibel Symposium, Ponte Vedra Beach, FL (1994).
49. Does the energy band gap in semiconducting single wall (n,0) carbon nanotubes oscillate,
First International Conference from Nanoparticles & Nanomaterials to Nanodevices &
Nanosystems, Porto Carras, Greece (2008), invited.
50. Strain-induced band gap changes in carbon nanotubes, Central European Symposium on
Theoretical Chemistry, Dobogóko, Hungary (September 2009), invited.