Escuela de Pregrado – Facultad de Ciencias – Universidad de Chile
Nombres:
RENATO RUBÉN
Apellidos:
CONTRERAS RAMOS
Contacto (Opcional):
RCONTRER@UCHILE.CL
Título Profesional o Grado Académico (incluya el año de obtención):
LICENCIADO EN CIENCIAS CON MENCIÓN EN QUÍMICA, UNIVERSIDAD DE
CHILE, 1977.
Estudios de Postgrado o Especialización (institución donde lo obtuvo y año de
obtención):
DOCTEUR DU TROISIÈME CYÈCLE EN CHIMIE-PHYSIQUE MOLECULAIRE,
UNIVERSITÉ PIERRE ET MARIE CURIE, PARIS VI, PARIS, 1982.
Actividad Actual e Institución en la cual trabaja:
PROFESOR TITULAR, DEPARATMENTO DE QUÍMICA, UNIVERSIDAD DE CHILE
Reseña de su actividad laboral actual:
Área de Investigación: Físicoquímica Molecular y Química Teórica.
Línea de Investigación: Funciones de respuesta estáticas en el contexto de la teoría de
funcionales de densidad. Reactividad química intrínseca y en fases condensada
PUBLICACIONES:
CONTRERAS RAMOS, RENATO RUBÉN
Ormazabal-Toledo, R., Santos, J.G., Ríos, P., Castro, E.A., Campodónico, P.R.,
Contreras, R.
Hydrogen bond contribution to preferential solvation in SNAr reactions
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Escuela de Pregrado – Facultad de Ciencias – Universidad de Chile
(2013) Journal of Physical Chemistry B, 117 (19), pp. 5908-5915.
http://www.scopus.com/inward/record.url?eid=2-s2.084878103331&partnerID=40&md5=066a3be82d4f0d17b50a02738fbdcb79
DOCUMENT TYPE: Article
SOURCE: Scopus
Ormazábal-Toledo, R., Contreras, R., Tapia, R.A., Campodónico, P.R.
Specific nucleophile-electrophile interactions in nucleophilic aromatic substitutions
(2013) Organic and Biomolecular Chemistry, 11 (14), pp. 2302-2309. Cited 1 time.
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DOCUMENT TYPE: Article
SOURCE: Scopus
Ormazábal-Toledo, R., Castro, E.A., Santos, J.G., Millán, D., Cañete, A., Contreras, R.,
Campodõnico, P.R.
Predicting the reaction mechanism of nucleophilic substitutions at carbonyl and
thiocarbonyl centres of esters and thioesters
(2012) Journal of Physical Organic Chemistry, 25 (12), pp. 1359-1364.
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DOCUMENT TYPE: Article
SOURCE: Scopus
Jorge, S.-D., Aizman, A., Contreras, R., Domingo, L.R.
On the catalytic effect of water in the intramolecular diels-alder reaction of quinone
systems: A theoretical study
(2012) Molecules, 17 (11), pp. 13687-13703. Cited 1 time.
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DOCUMENT TYPE: Article
SOURCE: Scopus
Bernales, V.S., Marenich, A.V., Contreras, R., Cramer, C.J., Truhlar, D.G.
Quantum mechanical continuum solvation models for ionic liquids
(2012) Journal of Physical Chemistry B, 116 (30), pp. 9122-9129. Cited 5 times.
http://www.scopus.com/inward/record.url?eid=2-s2.084864780534&partnerID=40&md5=4d55c36301d22ef21d99d777d562d0d1
DOCUMENT TYPE: Article
SOURCE: Scopus
Cerda-Monje, A., Aizman, A., Tapia, R.A., Chiappe, C., Contreras, R.
Solvent effects in ionic liquids: Empirical linear energy-density relationships
(2012) Physical Chemistry Chemical Physics, 14 (28), pp. 10041-10049. Cited 1 time.
http://www.scopus.com/inward/record.url?eid=2-s2.084863703884&partnerID=40&md5=cb55cefba8f1fb471aefcd2dfbdeb9b9
DOCUMENT TYPE: Article
SOURCE: Scopus
Cedillo, A., Contreras, R.
A local extension of the electrophilicity index concept
(2012) Journal of the Mexican Chemical Society, 56 (3), pp. 257-260.
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DOCUMENT TYPE: Article
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Escuela de Pregrado – Facultad de Ciencias – Universidad de Chile
SOURCE: Scopus
Gonzalez-Suarez, M., Aizman, A., Soto-Delgado, J., Contreras, R.
Bond fukui functions as descriptor of the electron density reorganization in π
conjugated systems
(2012) Journal of Organic Chemistry, 77 (1), pp. 90-95. Cited 2 times.
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DOCUMENT TYPE: Article
SOURCE: Scopus
Ormazábal-Toledo, R., Campodónico, P.R., Contreras, R.
Are electrophilicity and electrofugality related concepts? A density functional theory
study
(2011) Organic Letters, 13 (4), pp. 822-824. Cited 6 times.
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DOCUMENT TYPE: Article
SOURCE: Scopus
Soto-Delgado, J., Aizman, A., Contreras, R., Domingo, L.R.
A dft study of the regioselectivity in intramolecular diels-alder reactions with formation
of a ricyclodecane skeleton
(2011) Letters in Organic Chemistry, 8 (2), pp. 125-131. Cited 1 time.
http://www.scopus.com/inward/record.url?eid=2-s2.079952332724&partnerID=40&md5=7d3165dc984292e12f5a756951ffb180
DOCUMENT TYPE: Article
SOURCE: Scopus
San Martin, A., Rovirosa, J., Carrasco, A., Orejarena, S., Soto-Delgado, J., Contreras,
R., Chamy, M.C.
Microbial transformation of marine halogenated sesquiterpenes
(2010) Natural Product Communications, 5 (12), pp. 1859-1864. Cited 2 times.
http://www.scopus.com/inward/record.url?eid=2-s2.078751514014&partnerID=40&md5=4a4a76da74cae76d250f6ccecc86dc95
DOCUMENT TYPE: Article
SOURCE: Scopus
Soto-Delgado, J., Aizman, A., Domingo, L.R., Contreras, R.
Invariance of electrophilicity of independent fragments. Application to intramolecular
Diels-Alder reactions
(2010) Chemical Physics Letters, 499 (4-6), pp. 272-277. Cited 5 times.
http://www.scopus.com/inward/record.url?eid=2-s2.077958097193&partnerID=40&md5=e026da3142d0e1620d8b057f8c74f151
DOCUMENT TYPE: Article
SOURCE: Scopus
Campodónico, P.R., Ormazábal-Toledo, R., Aizman, A., Contreras, R.
Permanent group effect on nucleofugality in aryl benzoates
(2010) Chemical Physics Letters, 498 (1-3), pp. 221-225. Cited 5 times.
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DOCUMENT TYPE: Article
SOURCE: Scopus
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Escuela de Pregrado – Facultad de Ciencias – Universidad de Chile
Soto-Delgado, J., Domingo, L.R., Contreras, R.
Quantitative characterization of group electrophilicity and nucleophilicity for
intramolecular Diels-Alder reactions
(2010) Organic and Biomolecular Chemistry, 8 (16), pp. 3678-3683. Cited 9 times.
http://www.scopus.com/inward/record.url?eid=2-s2.077955122782&partnerID=40&md5=8af6a7b9ee8ac87d1254b872ad5ecece
DOCUMENT TYPE: Article
SOURCE: Scopus
Gonzalez-Suarez, M., Aizman, A., Contreras, R.
Phenomenological chemical reactivity theory for mobile electrons
(2010) Theoretical Chemistry Accounts, 126 (1), pp. 45-54. Cited 4 times.
http://www.scopus.com/inward/record.url?eid=2-s2.077951498093&partnerID=40&md5=aa23b95e1867a3c7250ef767ecf0778c
DOCUMENT TYPE: Article
SOURCE: Scopus
Campodónico, P.R., Aliaga, M.E., Santos, J.G., Castro, E.A., Contreras, R.
Reactivity of benzohydrazide derivatives towards acetylation reaction. Experimental
and theoretical studies
(2010) Chemical Physics Letters, 488 (1-3), pp. 86-89. Cited 4 times.
http://www.scopus.com/inward/record.url?eid=2-s2.077950519850&partnerID=40&md5=f28288687ccd0677a214ae3689f02e65
DOCUMENT TYPE: Article
SOURCE: Scopus
Matute, R.A., Contreras, R., González, L.
Time-dependent DFT on phytochrome chromophores: A way to the right conformer
(2010) Journal of Physical Chemistry Letters, 1 (4), pp. 796-801. Cited 4 times.
http://www.scopus.com/inward/record.url?eid=2-s2.077749242701&partnerID=40&md5=2a6f3ee1c6af9959b0f340b184ff4ded
DOCUMENT TYPE: Article
SOURCE: Scopus
Miño, G., Contreras, R.
Non-electrostatic components of short and strong hydrogen bonds induced by
compression inside fullerenes
(2010) Chemical Physics Letters, 486 (4-6), pp. 119-122. Cited 1 time.
http://www.scopus.com/inward/record.url?eid=2-s2.075349099271&partnerID=40&md5=03154358bb686dfe53444116eb8d7b70
DOCUMENT TYPE: Article
SOURCE: Scopus
Castro, E.A., Aliaga, M., Campodónico, P.R., Cepeda, M., Contreras, R., Santos, J.G.
Experimental and theoretical studies on the nucleofugality patterns in the aminolysis
and phenolysis of S-Aryl O-Aryl thiocarbonates
(2009) Journal of Organic Chemistry, 74 (23), pp. 9173-9179. Cited 28 times.
http://www.scopus.com/inward/record.url?eid=2-s2.072249097891&partnerID=40&md5=60ab4c19f56d9ac1b352165952f273df
DOCUMENT TYPE: Article
SOURCE: Scopus
Centeno, J., Contreras, R., Fuentealba, P.
Endohedral cluster of Li10O with Td symmetry
(2009) Journal of Physical Chemistry A, 113 (48), pp. 13451-13456. Cited 2 times.
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Escuela de Pregrado – Facultad de Ciencias – Universidad de Chile
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DOCUMENT TYPE: Article
SOURCE: Scopus
Pérez-Méndez, C., Fuentealba, P., Contreras, R.
On the gas-phase electronic chemical potential of anions
(2009) Journal of Chemical Theory and Computation, 5 (11), pp. 2944-2949. Cited 2
times.
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DOCUMENT TYPE: Article
SOURCE: Scopus
Alzate-Morales, J.H., Caballero, J., Gonzalez-Nilo, F.D., Contreras, R.
A computational ONIOM model for the description of the H-bond interactions between
NU2058 analogues and CDK2 active site
(2009) Chemical Physics Letters, 479 (1-3), pp. 149-155. Cited 7 times.
http://www.scopus.com/inward/record.url?eid=2-s2.069349092838&partnerID=40&md5=cbb09bad49b4c8c4e171f15443c7d10e
DOCUMENT TYPE: Article
SOURCE: Scopus
Areche, C., San-Martín, A., Rovirosa, J., Soto-Delgado, J., Contreras, R.
An unusual halogenated meroditerpenoid from Stypopodium flabelliforme: Studies by
NMR spectroscopic and computational methods
(2009) Phytochemistry, 70 (10), pp. 1315-1320. Cited 12 times.
http://www.scopus.com/inward/record.url?eid=2-s2.069249155762&partnerID=40&md5=4b1774e6c0c28376c7401fe83dd871df
DOCUMENT TYPE: Article
SOURCE: Scopus
Soto-Delgado, J., Domingo, L.R., Araya-Maturana, R., Contreras, R.
Understanding the stereo- and regioselectivities of the polar diels-alder reactions
between 2-acetyl-1,4-benzoquinone and methyl substituted 1,3-butadienes: A dft study
(2009) Journal of Physical Organic Chemistry, 22 (6), pp. 578-584. Cited 6 times.
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DOCUMENT TYPE: Article
SOURCE: Scopus
Soto-Delgado, J., Domingo, L.R., Contreras, R.
Understanding the influence of Lewis acids in the regioselectivity of the Diels-Alder
reactions of 2-methoxy-5-methyl-1,4-benzoquinone: A DFT study
(2009) Journal of Molecular Structure: THEOCHEM, 902 (1-3), pp. 103-108. Cited 7
times.
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DOCUMENT TYPE: Article
SOURCE: Scopus
Miño, G., Contreras, R.
On the role of short and strong hydrogen bonds on the mechanism of action of a model
chymotrypsine active site
(2009) Journal of Physical Chemistry A, 113 (19), pp. 5769-5772. Cited 7 times.
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Escuela de Pregrado – Facultad de Ciencias – Universidad de Chile
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DOCUMENT TYPE: Article
SOURCE: Scopus
Campodónico, P.R., Aizman, A., Contreras, R.
Electrophilicity of quinones and its relationship with hydride affinity
(2009) Chemical Physics Letters, 471 (1-3), pp. 168-173. Cited 15 times.
http://www.scopus.com/inward/record.url?eid=2-s2.061649114489&partnerID=40&md5=29ad35b5c78da1dd436fdaa7f960a772
DOCUMENT TYPE: Article
SOURCE: Scopus
Guerra, D., Contreras, R., Cedillo, A., Aizman, A., Fuentealba, P.
On the principle of spin potential equalization
(2009) Journal of Physical Chemistry A, 113 (7), pp. 1390-1396. Cited 3 times.
http://www.scopus.com/inward/record.url?eid=2-s2.063849167855&partnerID=40&md5=8ff8a63021af3124476d121bf8021d06
DOCUMENT TYPE: Article
SOURCE: Scopus
Matute, R.A., Contreras, R., Rez-Hernández, G.P., González, L.
The chromophore structure of the cyanobacterial phytochrome cphl as predicted by
time-dependent density functional theory
(2008) Journal of Physical Chemistry B, 112 (51), pp. 16253-16256. Cited 11 times.
http://www.scopus.com/inward/record.url?eid=2-s2.058149147148&partnerID=40&md5=1e716370b218bc51ac2982bc97d63d92
DOCUMENT TYPE: Article
SOURCE: Scopus
Campodónico, P.R., Andrés, J., Aizman, A., Contreras, R.
Proton transport catalysis in intramolecular rearrangements: A density functional theory
study
(2008) Chemical Physics Letters, 464 (4-6), pp. 271-275. Cited 5 times.
http://www.scopus.com/inward/record.url?eid=2-s2.053549102469&partnerID=40&md5=da0d784c6ffc5ba142ec966d477eb953
DOCUMENT TYPE: Article
SOURCE: Scopus
Pérez, P., Domingo, L.R., Aizman, A., Contreras, R.
Chapter 9 The electrophilicity index in organic chemistry
(2008) Theoretical and Computational Chemistry, 19, pp. 139-201. Cited 4 times.
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DOCUMENT TYPE: Article
SOURCE: Scopus
Contreras, R., Galván, M., Oliva, M., Safont, V.S., Andrés, J., Guerra, D., Aizman, A.
Two state reactivity mechanism for the rearrangement of hydrogen peroxynitrite to
nitric acid
(2008) Chemical Physics Letters, 457 (1-3), pp. 216-221. Cited 8 times.
http://www.scopus.com/inward/record.url?eid=2-s2.043549087579&partnerID=40&md5=de28a8e7fd64b2dd636aee45bc8c452a
DOCUMENT TYPE: Article
SOURCE: Scopus
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Escuela de Pregrado – Facultad de Ciencias – Universidad de Chile
Campodónico, P.R., Contreras, R.
Structure-reactivity relationships for electrophilic sugars in interaction with nucleophilic
biological targets
(2008) Bioorganic and Medicinal Chemistry, 16 (6), pp. 3184-3190. Cited 6 times.
http://www.scopus.com/inward/record.url?eid=2-s2.040949089648&partnerID=40&md5=abb713b3f2e84a40c901b570392239b6
DOCUMENT TYPE: Article
SOURCE: Scopus
Campodónico, P.R., Pérez, C., Aliaga, M., Gazitúa, M., Contreras, R.
Electrofugality index for benzhydryl derivatives
(2007) Chemical Physics Letters, 447 (4-6), pp. 375-378. Cited 18 times.
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DOCUMENT TYPE: Article
SOURCE: Scopus
Meneses, L., Araya, A., Pilaquinga, F., Contreras, R., Fuentealba, P.
Local hardness: An application to electrophilic additions
(2007) Chemical Physics Letters, 446 (1-3), pp. 170-175. Cited 6 times.
http://www.scopus.com/inward/record.url?eid=2-s2.034548505255&partnerID=40&md5=0ede890a22b978d21927df0548690cfe
DOCUMENT TYPE: Article
SOURCE: Scopus
Guerra, D., Fuentealba, P., Aizman, A., Contreras, R.
β-Scission of thioimidoyl radicals (R1-N-C{radical dot}{double bond, long}S-R2): A
theoretical scale of radical leaving group ability
(2007) Chemical Physics Letters, 443 (4-6), pp. 383-388. Cited 5 times.
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DOCUMENT TYPE: Article
SOURCE: Scopus
Campodónico, P.R., Andrés, J., Aizman, A., Contreras, R.
Nucleofugality index in α-elimination reactions
(2007) Chemical Physics Letters, 439 (1-3), pp. 177-182. Cited 16 times.
http://www.scopus.com/inward/record.url?eid=2-s2.034247254253&partnerID=40&md5=711cfcb327d16c1d065f50118d42749e
DOCUMENT TYPE: Article
SOURCE: Scopus
Alzate-Morales, J.H., Tiznado, W., Santos, J.C., Cárdenas, C., Contreras, R.
Theoretical study on CDK2 inhibitors using a global softness obtained from the density
of states
(2007) Journal of Physical Chemistry B, 111 (12), pp. 3293-3297. Cited 4 times.
http://www.scopus.com/inward/record.url?eid=2-s2.034147110853&partnerID=40&md5=dd8ea7a672f1eabe8e99396765ffa239
DOCUMENT TYPE: Article
SOURCE: Scopus
Cedillo, A., Contreras, R., Galván, M., Aizman, A., Andrés, J., Safont, V.S.
Nucleophilicity index from perturbed electrostatic potentials
(2007) Journal of Physical Chemistry A, 111 (12), pp. 2442-2447. Cited 36 times.
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Escuela de Pregrado – Facultad de Ciencias – Universidad de Chile
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DOCUMENT TYPE: Article
SOURCE: Scopus
Alzate-Morales, J.H., Contreras, R., Soriano, A., Tuñon, I., Silla, E.
A computational study of the protein-ligand interactions in CDK2 inhibitors: Using
quantum mechanics/molecular mechanics interaction energy as a predictor of the
biological activity
(2007) Biophysical Journal, 92 (2), pp. 430-439. Cited 25 times.
http://www.scopus.com/inward/record.url?eid=2-s2.033846426835&partnerID=40&md5=e0d92c15a375cd33f10b1365fe362044
DOCUMENT TYPE: Article
SOURCE: Scopus
Meneses, L., Fuentealba, P., Contreras, R.
On the variations of electronic chemical potential and chemical hardness induced by
solvent effects
(2006) Chemical Physics Letters, 433 (1-3), pp. 54-57. Cited 9 times.
http://www.scopus.com/inward/record.url?eid=2-s2.033845335859&partnerID=40&md5=aed836d9b7298552819610458ccf4b71
DOCUMENT TYPE: Article
SOURCE: Scopus
Jaramillo, P., Pérez, P., Contreras, R., Tiznado, W., Fuentealba, P.
Definition of a nucleophilicity scale
(2006) Journal of Physical Chemistry A, 110 (26), pp. 8181-8187. Cited 52 times.
http://www.scopus.com/inward/record.url?eid=2-s2.033746337936&partnerID=40&md5=27488f8b9fce1c0abfbc7997ac796532
DOCUMENT TYPE: Article
SOURCE: Scopus
Guerra, D., Castillo, R., Andrés, J., Fuentealba, P., Aizman, A., Contreras, R.
Homofugality: A new reactivity index describing the leaving group ability in homolytic
substitution reactions
(2006) Chemical Physics Letters, 424 (4-6), pp. 437-442. Cited 9 times.
http://www.scopus.com/inward/record.url?eid=2-s2.033744921914&partnerID=40&md5=74975378d6bf5d78f59eec8b667d3358
DOCUMENT TYPE: Article
SOURCE: Scopus
Campodonico, P.R., Aizman, A., Contreras, R.
Group electrophilicity as a model of nucleofugality in nucleophilic substitution reactions
(2006) Chemical Physics Letters, 422 (4-6), pp. 340-344. Cited 27 times.
http://www.scopus.com/inward/record.url?eid=2-s2.033646163234&partnerID=40&md5=c7f18383fcc5114031ddc8bdae316ffc
DOCUMENT TYPE: Article
SOURCE: Scopus
Campodónico, P.R., Aizman, A., Contreras, R.
Empirical scale of nucleophilicity for substituted pyridines
(2006) Chemical Physics Letters, 422 (1-3), pp. 204-209. Cited 17 times.
http://www.scopus.com/inward/record.url?eid=2-s2.033646418974&partnerID=40&md5=d98e86d7911d2ade55ffcd7d1b82765b
DOCUMENT TYPE: Article
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Escuela de Pregrado – Facultad de Ciencias – Universidad de Chile
SOURCE: Scopus
Castro, E.A., Campodónico, P.R., Contreras, R., Fuentealba, P., Santos, J.G., Leis,
J.R., García-Río, L., Saez, J.A., Domingo, L.R.
Experimental and theoretical study on the substitution reactions of aryl 2,4dinitrophenyl carbonates with quinuclidines
(2006) Tetrahedron, 62 (11), pp. 2555-2562. Cited 29 times.
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DOCUMENT TYPE: Article
SOURCE: Scopus
Guerra, D., Contreras, R., Pérez, P., Fuentealba, P.
Hardness and softness kernels, and related indices in the spin polarized version of
density functional theory
(2006) Chemical Physics Letters, 419 (1-3), pp. 37-43. Cited 11 times.
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DOCUMENT TYPE: Article
SOURCE: Scopus
Domingo, L.R., Pérez, P., Contreras, R.
π-strain-induced electrophilicity in small cycloalkynes: A DFT analysis of the polar
cycloaddition of cyclopentyne towards enol ethers
(2006) European Journal of Organic Chemistry, (2), pp. 498-506. Cited 10 times.
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DOCUMENT TYPE: Article
SOURCE: Scopus
Pérez, P., Andrés, J., Safont, V.S., Contreras, R., Tapia, O.
Exploring two-state reactivity pathways in the cycloaddition reactions of triplet
methylene
(2005) Journal of Physical Chemistry A, 109 (18), pp. 4178-4184. Cited 9 times.
http://www.scopus.com/inward/record.url?eid=2-s2.019944393865&partnerID=40&md5=113a7ce134bf73978747b1a815f373fc
DOCUMENT TYPE: Article
SOURCE: Scopus
Tiznado, W., Chamorro, E., Contreras, R., Fuentealba, P.
Comparison among four different ways to condense the Fukui function
(2005) Journal of Physical Chemistry A, 109 (14), pp. 3220-3224. Cited 32 times.
http://www.scopus.com/inward/record.url?eid=2-s2.017444364849&partnerID=40&md5=fa17a55d86a0184fecb5cc814357481c
DOCUMENT TYPE: Article
SOURCE: Scopus
Campodónico, P.R., Fuentealba, P., Castro, E.A., Santos, J.G., Contreras, R.
Relationships between the electrophilicity index and experimental rate coefficients for
the aminolysis of thiolcarbonates and dithiocarbonates
(2005) Journal of Organic Chemistry, 70 (5), pp. 1754-1760. Cited 36 times.
http://www.scopus.com/inward/record.url?eid=2-s2.014544304079&partnerID=40&md5=34f5e703959c5c6536839a5551e88a45
DOCUMENT TYPE: Article
SOURCE: Scopus
9
Escuela de Pregrado – Facultad de Ciencias – Universidad de Chile
Domingo, L.R., Pérez, P., Contreras, R.
A DFT analysis of the strain-induced regioselective[2+2]cycloaddition of benzyne
possessing fused four-membered ring
(2005) Letters in Organic Chemistry, 2 (1), pp. 68-73. Cited 12 times.
http://www.scopus.com/inward/record.url?eid=2-s2.024944526913&partnerID=40&md5=dcd6f7fd0fc40e3b7a68eaba2c96e1b7
DOCUMENT TYPE: Review
SOURCE: Scopus
Meneses, L., Fuentealba, P., Contreras, R.
Relationship between the electrophilicity of substituting agents and substrate selectivity
in Friedel-Crafts reactions
(2005) Tetrahedron, 61 (4), pp. 831-836. Cited 15 times.
http://www.scopus.com/inward/record.url?eid=2-s2.011044235372&partnerID=40&md5=31cdea8c8159ca99745efcafe4ebb001
DOCUMENT TYPE: Article
SOURCE: Scopus
Aizman, A., Contreras, R., Pérez, P.
Relationship between local electrophilicity and rate coefficients for the hydrolysis of
carbenium ions
(2005) Tetrahedron, 61 (4), pp. 889-895. Cited 20 times.
http://www.scopus.com/inward/record.url?eid=2-s2.011044230648&partnerID=40&md5=42b829ee6f1ab9068f3dc6354f8aaef9
DOCUMENT TYPE: Article
SOURCE: Scopus
Contreras, R., Andrés, J., Domingo, L.R., Castillo, R., Pérez, P.
Effect of electron-withdrawing substituents on the electrophilicity of carbonyl carbons
(2005) Tetrahedron, 61 (2), pp. 417-422. Cited 20 times.
http://www.scopus.com/inward/record.url?eid=2-s2.09944225117&partnerID=40&md5=2380222fbee546418691b1453e5fab03
DOCUMENT TYPE: Article
SOURCE: Scopus
Aurell, M.J., Domingo, L.R., Pérez, P., Contreras, R.
A theoretical study on the regioselectivity of 1,3-dipolar cycloadditions using DFTbased reactivity indexes
(2004) Tetrahedron, 60 (50), pp. 11503-11509. Cited 59 times.
http://www.scopus.com/inward/record.url?eid=2-s2.08644278080&partnerID=40&md5=05dd2787855de26717405b7300c1aa0b
DOCUMENT TYPE: Article
SOURCE: Scopus
Domingo, L.R., Pérez, P., Contreras, R.
Reactivity of the carbon-carbon double bond towards nucleophilic additions. A DFT
analysis
(2004) Tetrahedron, 60 (31), pp. 6585-6591. Cited 37 times.
http://www.scopus.com/inward/record.url?eid=2-s2.04143091851&partnerID=40&md5=9cced774b74f258875aeb6b5332d10b5
DOCUMENT TYPE: Article
SOURCE: Scopus
Aizman, A., Contreras, R.
10
Escuela de Pregrado – Facultad de Ciencias – Universidad de Chile
Back to basics: Modern reactivity concepts within the HMO theory framework è
(2004) Journal of the Chilean Chemical Society, 49 (2), pp. 107-111. Cited 7 times.
http://www.scopus.com/inward/record.url?eid=2-s2.02942749970&partnerID=40&md5=87dde1f617cd4554b002a2a06de0d6ec
DOCUMENT TYPE: Article
SOURCE: Scopus
Rivas, P., Zapata-Torres, G., Melin, J., Contreras, R.
Probing the hydride transfer process in the lumiflavine-1- methylnicotinamide model
system using group softness
(2004) Tetrahedron, 60 (19), pp. 4189-4196. Cited 6 times.
http://www.scopus.com/inward/record.url?eid=2-s2.01942504162&partnerID=40&md5=772a1a7964e0084a5b6efb2b39c79a52
DOCUMENT TYPE: Article
SOURCE: Scopus
Campodonico, P., Santos, J.G., Andres, J., Contreras, R.
Relationship between nucleophilicity/electrophilcity indices and reaction mechanisms
for the nucleophilic substitution reactions of carbonyl compounds
(2004) Journal of Physical Organic Chemistry, 17 (4), pp. 273-281. Cited 24 times.
http://www.scopus.com/inward/record.url?eid=2-s2.011444269027&partnerID=40&md5=ae96cd7bfaf7ccdcf858b378e159d7aa
DOCUMENT TYPE: Article
SOURCE: Scopus
Pérez, P., Parra-Mouchet, J., Contreras, R.R.
Quantitative representation of reactivity, selectivity and site activation concepts in
organic chemistry
(2004) Journal of the Chilean Chemical Society, 49 (1), pp. 51-63. Cited 5 times.
http://www.scopus.com/inward/record.url?eid=2-s2.018744428639&partnerID=40&md5=4c98ac5387639a2de8f590c1678f1a5e
DOCUMENT TYPE: Article
SOURCE: Scopus
Santos, J.C., Chamorro, E., Contreras, R., Fuentealba, P.
Local reactivity index as descriptor of benzene adsorption in cluster models of
exchanged zeolite-Y
(2004) Chemical Physics Letters, 383 (5-6), pp. 612-616. Cited 3 times.
http://www.scopus.com/inward/record.url?eid=2-s2.00347123358&partnerID=40&md5=d249b612435fd41c1e4ad43653b1c5f1
DOCUMENT TYPE: Article
SOURCE: Scopus
Meneses, L., Tiznado, W., Contreras, R., Fuentealba, P.
A proposal for a new local hardness as selectivity index
(2004) Chemical Physics Letters, 383 (1-2), pp. 181-187. Cited 33 times.
http://www.scopus.com/inward/record.url?eid=2-s2.00346219347&partnerID=40&md5=5e7df80cc6ea531fea05bf6f1c060011
DOCUMENT TYPE: Article
SOURCE: Scopus
Gómez, B., Fuentealba, P., Contreras, R.
The maximum hardness and minimum polarizability principles as the basis for the
study of reaction profiles
(2003) Theoretical Chemistry Accounts, 110 (6), pp. 421-427. Cited 16 times.
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Escuela de Pregrado – Facultad de Ciencias – Universidad de Chile
http://www.scopus.com/inward/record.url?eid=2-s2.00347720940&partnerID=40&md5=0115b8c246185422370041ab209b9f0c
DOCUMENT TYPE: Conference Paper
SOURCE: Scopus
Aparicio, F., Contreras, R., Galván, M., Cedillo, A.
Global and Local Reactivity and Activation Patterns of HOOX (X = H, NO 2, CO2 -,
SO3 -) Peroxides with Solvent Effects
(2003) Journal of Physical Chemistry A, 107 (47), pp. 10098-10104. Cited 10 times.
http://www.scopus.com/inward/record.url?eid=2-s2.00344121619&partnerID=40&md5=5bbff567f7156bc219e4a643b4f52054
DOCUMENT TYPE: Article
SOURCE: Scopus
Matus, M.H., Contreras, R., Cedillo, A., Galván, M.
Wave function instabilities in the cis-trans isomerization and singlet-triplet energy gaps
in a push-pull compound
(2003) Journal of Chemical Physics, 119 (8), pp. 4112-4116. Cited 5 times.
http://www.scopus.com/inward/record.url?eid=2-s2.00042882531&partnerID=40&md5=4c9d72b850a02a1e5f21e7f7f1163586
DOCUMENT TYPE: Article
SOURCE: Scopus
Domingo, L.R., Pérez, P., Contreras, R.
Electronic contributions to the σp parameter of the Hammett equation
(2003) Journal of Organic Chemistry, 68 (15), pp. 6060-6062. Cited 48 times.
http://www.scopus.com/inward/record.url?eid=2-s2.00038034033&partnerID=40&md5=e1636aaca48c7a1fc6f051f8ee3f3f77
DOCUMENT TYPE: Article
SOURCE: Scopus
Contreras, R., Andres, J., Safont, V.S., Campodonico, P., Santos, J.G.
A theoretical study on the relationship between nucleophilicity and ionization potentials
in solution phase
(2003) Journal of Physical Chemistry A, 107 (29), pp. 5588-5593. Cited 55 times.
http://www.scopus.com/inward/record.url?eid=2-s2.00043175407&partnerID=40&md5=a93304bdbbffa3299bf9340301042f7c
DOCUMENT TYPE: Article
SOURCE: Scopus
Domingo, L.R., Aurell, M.J., Pérez, P., Contreras, R.
Origin of the synchronicity on the transition structures of polar Diels-Alder reactions.
Are these reactions [4 + 2] processes?
(2003) Journal of Organic Chemistry, 68 (10), pp. 3884-3890. Cited 78 times.
http://www.scopus.com/inward/record.url?eid=2-s2.00037613350&partnerID=40&md5=d48a80ad2bc077eef15174c3fb4b9090
DOCUMENT TYPE: Article
SOURCE: Scopus
Melin, J., Aparicio, F., Galván, M., Fuentealba, P., Contreras, R.
Chemical reactivity in the {N, NS, v(r)} space
(2003) Journal of Physical Chemistry A, 107 (19), pp. 3831-3835. Cited 19 times.
http://www.scopus.com/inward/record.url?eid=2-s2.00037714480&partnerID=40&md5=307913b139a4d31591c2b1b239cd9f78
DOCUMENT TYPE: Article
12
Escuela de Pregrado – Facultad de Ciencias – Universidad de Chile
SOURCE: Scopus
Pérez, P., Domingo, L.R., Aurell, M.J., Contreras, R.
Quantitative characterization of the global electrophilicity pattern of some reagents
involved in 1,3-dipolar cycloaddition reactions
(2003) Tetrahedron, 59 (17), pp. 3117-3125. Cited 162 times.
http://www.scopus.com/inward/record.url?eid=2-s2.00037459857&partnerID=40&md5=9fb9279d30c7d51ecc161e4a9b0af8dc
DOCUMENT TYPE: Article
SOURCE: Scopus
Chamorro, E., Santos, J.C., Gómez, B., Contreras, R., Fuentealba, P.
The bonding nature of some simple sigmatropic transition states from the topological
analysis of the electron localization function
(2002) Journal of Physical Chemistry A, 106 (47), pp. 11533-11539. Cited 14 times.
http://www.scopus.com/inward/record.url?eid=2-s2.00037191811&partnerID=40&md5=c1f165a5d4979dae8a650d2f324a953f
DOCUMENT TYPE: Article
SOURCE: Scopus
Gómez, B., Chattaraj, P.K., Chamorro, E., Contreras, R., Fuentealba, P.
A density functional study of the Claisen rearrangement of allyl aryl ether, allyl
arylamine, allyl aryl thio ether, and a series of meta-substituted molecules through
reactivity and selectivity profiles
(2002) Journal of Physical Chemistry A, 106 (46), pp. 11227-11233. Cited 23 times.
http://www.scopus.com/inward/record.url?eid=2-s2.00037153308&partnerID=40&md5=9b090fe66c119bd65549b4b31a51be02
DOCUMENT TYPE: Article
SOURCE: Scopus
Aizman, A., Contreras, R., Galván, M., Cedillo, A., Santos, J.C., Chamorro, E.
The Markovnikov regioselectivity rule in the light of site activation models
(2002) Journal of Physical Chemistry A, 106 (34), pp. 7844-7849. Cited 22 times.
http://www.scopus.com/inward/record.url?eid=2-s2.00037194542&partnerID=40&md5=9431392e811136ac38279105329c9c08
DOCUMENT TYPE: Article
SOURCE: Scopus
Domingo, L.R., Aurell, M.J., Pérez, P., Contreras, R.
Quantitative characterization of the local electrophilicity of organic molecules.
Understanding the regioselectivity on Diels-Alder reactions
(2002) Journal of Physical Chemistry A, 106 (29), pp. 6871-6875. Cited 182 times.
http://www.scopus.com/inward/record.url?eid=2-s2.00037173332&partnerID=40&md5=01074171ac416845e4265e25462409b1
DOCUMENT TYPE: Article
SOURCE: Scopus
Pérez, P., Toro-Labbé, A., Aizman, A., Contreras, R.
Comparison between experimental and theoretical scales of electrophilicity in
benzhydryl cations
(2002) Journal of Organic Chemistry, 67 (14), pp. 4747-4752. Cited 86 times.
http://www.scopus.com/inward/record.url?eid=2-s2.00037067528&partnerID=40&md5=46e70511c02273a3268e16161dc7ad7b
DOCUMENT TYPE: Article
SOURCE: Scopus
13
Escuela de Pregrado – Facultad de Ciencias – Universidad de Chile
Pérez, P., Andrés, J., Safont, V.S., Tapia, O., Contreras, R.
Spin-philicity and spin-donicity as auxiliary concepts to quantify spin-catalysis
phenomena
(2002) Journal of Physical Chemistry A, 106 (21), pp. 5353-5357. Cited 46 times.
http://www.scopus.com/inward/record.url?eid=2-s2.00037198804&partnerID=40&md5=4de726a65ced9e4ecf8d5acdbcf7eeb9
DOCUMENT TYPE: Article
SOURCE: Scopus
Domingo, L.R., Aurell, M.J., Pérez, P., Contreras, R.
Quantitative characterization of the global electrophilicity power of common
diene/dienophile pairs in Diels-Alder reactions
(2002) Tetrahedron, 58 (22), pp. 4417-4423. Cited 257 times.
http://www.scopus.com/inward/record.url?eid=2-s2.00037181996&partnerID=40&md5=14c0d90cb90a3363ff6d4e78c0c22587
DOCUMENT TYPE: Article
SOURCE: Scopus
Pérez, P., Aizman, A., Contreras, R.
Comparison between experimental and theoretical scales of electrophilicity based on
reactivity indexes
(2002) Journal of Physical Chemistry A, 106 (15), pp. 3964-3966. Cited 26 times.
http://www.scopus.com/inward/record.url?eid=2-s2.00037129495&partnerID=40&md5=bbfba4fc8187b160b7364462c32e00d7
DOCUMENT TYPE: Article
SOURCE: Scopus
Santos, J.C., Contreras, R., Chamorro, E., Fuentealba, P.
Local reactivity index defined through the density of states describes the basicity of
alkaline-exchanged zeolites
(2002) Journal of Chemical Physics, 116 (10), pp. 4311-4316. Cited 19 times.
http://www.scopus.com/inward/record.url?eid=2-s2.00037040802&partnerID=40&md5=a5ff783fd60af56978e9d04804649adb
DOCUMENT TYPE: Article
SOURCE: Scopus
Domingo, L.R., Arnó, M., Contreras, R., Pérez, P.
Density functional theory study for the cycloaddition of 1,3-butadienes with dimethyl
acetylenedicarboxylate. Polar stepwise vs concerted mechanisms
(2002) Journal of Physical Chemistry A, 106 (6), pp. 952-961. Cited 57 times.
http://www.scopus.com/inward/record.url?eid=2-s2.00037074619&partnerID=40&md5=cdec0946cd447627d46d3e48afbaf53a
DOCUMENT TYPE: Article
SOURCE: Scopus
Chamorro, E., Fuentealba, P., Contreras, R.
Higher order derivatives for nuclear indexes in the framework of density functional
theory
(2001) Journal of Chemical Physics, 115 (15), pp. 6822-6826. Cited 9 times.
http://www.scopus.com/inward/record.url?eid=2-s2.00035886035&partnerID=40&md5=e49b2ed728ffaf70106dac219e2b40e6
DOCUMENT TYPE: Article
SOURCE: Scopus
14
Escuela de Pregrado – Facultad de Ciencias – Universidad de Chile
Pérez, P., Toro-Labbé, A., Contreras, R.
Solvent effects on electrophilicity
(2001) Journal of the American Chemical Society, 123 (23), pp. 5527-5531. Cited 62
times.
http://www.scopus.com/inward/record.url?eid=2-s2.00034818569&partnerID=40&md5=960a9b2d11451b2dec138d5f040e369a
DOCUMENT TYPE: Article
SOURCE: Scopus
Chamorro, E., Santos, J.C., Gómez, B., Contreras, R., Fuentealba, P.
Topological analysis of the electron localization function applied to the study of the [1,3]
sigmatropic shift of fluorine in 3-fluorpropene
(2001) Journal of Chemical Physics, 114 (1), pp. 23-24. Cited 16 times.
http://www.scopus.com/inward/record.url?eid=2-s2.00035148048&partnerID=40&md5=a73bb35a81066f01d08c26cfdbab4311
DOCUMENT TYPE: Article
SOURCE: Scopus
Pérez, P., Toro-Labbé, A., Contreras, R.
A semiquantitative description of electrostatics and polarization substituent effects:
Gas-phase acid-base equilibria as test cases
(2000) Journal of Physical Chemistry A, 104 (51), pp. 11993-11998. Cited 15 times.
http://www.scopus.com/inward/record.url?eid=2-s2.00038788603&partnerID=40&md5=946508dcd026d44288877ecbd085628c
DOCUMENT TYPE: Article
SOURCE: Scopus
Chamorro, E., Contreras, R., Fuentealba, P.
Some relationships within the nonlocal (pair-site) chemical reactivity formalism of
density functional theory
(2000) Journal of Chemical Physics, 113 (24), pp. 10861-10866. Cited 24 times.
http://www.scopus.com/inward/record.url?eid=2-s2.00034498122&partnerID=40&md5=4edc2b78bb1da21b65a4b35ce236e858
DOCUMENT TYPE: Article
SOURCE: Scopus
Fuentealba, P., Pérez, P., Contreras, R.
On the condensed Fukui function
(2000) Journal of Chemical Physics, 113 (7), pp. 2544-2551. Cited 169 times.
http://www.scopus.com/inward/record.url?eid=2-s2.00034246593&partnerID=40&md5=ded2390f14ece14a31e420fc94196baa
DOCUMENT TYPE: Article
SOURCE: Scopus
Ferez, P., Toro-Labbé, A., Contreras, R.
Global and local analysis of the gas-phase acidity of haloacetic acids
(2000) Journal of Physical Chemistry A, 104 (24), pp. 5882-5887. Cited 18 times.
http://www.scopus.com/inward/record.url?eid=2-s2.00038369128&partnerID=40&md5=6266d5da600c117688297ea23075e76a
DOCUMENT TYPE: Article
SOURCE: Scopus
Pérez, P., Simón-Manso, Y., Aizman, A., Fuentealba, P., Contreras, R.
Empirical energy - Density relationships for the analysis of substituent effects in
chemical reactivity
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Escuela de Pregrado – Facultad de Ciencias – Universidad de Chile
(2000) Journal of the American Chemical Society, 122 (19), pp. 4756-4762. Cited 66
times.
http://www.scopus.com/inward/record.url?eid=2-s2.00038450984&partnerID=40&md5=cce0f3fc082a495fe681ee2e6020fe30
DOCUMENT TYPE: Article
SOURCE: Scopus
Chattaraj, P.K., Fuentealba, P., Gómez, B., Contreras, R.
Woodward-Hoffmann rule in the light of the principles of maximum hardness and
minimum polarizability: DFT and Ab initio SCF studies
(2000) Journal of the American Chemical Society, 122 (2), pp. 348-351. Cited 75 times.
http://www.scopus.com/inward/record.url?eid=2-s2.00033966232&partnerID=40&md5=a38f0d415032e83d449a2abfad5554cf
DOCUMENT TYPE: Article
SOURCE: Scopus
Pérez, P., Toro-Labbé, A., Contreras, R.
HSAB analysis of charge transfer in the gas-phase acid-base equilibria of alkylsubstituted alcohols
(1999) Journal of Physical Chemistry A, 103 (50), pp. 11246-11249. Cited 20 times.
http://www.scopus.com/inward/record.url?eid=2-s2.00001564305&partnerID=40&md5=5181234a90e5a63e435f3036d78e1907
DOCUMENT TYPE: Article
SOURCE: Scopus
Pérez, P., Contreras, R., Aizman, A.
Sites of protonation of N2-substituted N1,N1-dimethyl formamidines from regional
reactivity indices
(1999) Journal of Molecular Structure: THEOCHEM, 493, pp. 267-273. Cited 8 times.
http://www.scopus.com/inward/record.url?eid=2-s2.00342948624&partnerID=40&md5=79dc2c9bbf2d64c6d8bc77b9bb144ddf
DOCUMENT TYPE: Conference Paper
SOURCE: Scopus
Pérez, P., Zapata-Torres, G., Parra-Mouchet, J., Contreras, R.
Basicity and solvent effects on hydrogen bonding in NR3 ⋯ HCOOH (R = H, CH3)
model systems
(1999) International Journal of Quantum Chemistry, 74 (4), pp. 387-394. Cited 7 times.
http://www.scopus.com/inward/record.url?eid=2-s2.01842671553&partnerID=40&md5=ba6ed8afda63d8d6f25013e023ce8386
DOCUMENT TYPE: Article
SOURCE: Scopus
Contreras, R., Domingo, L.R., Andrés, J., Pérez, P., Tapia, O.
Nonlocal (Pair Site) Reactivity from Second-Order Static Density Response Function:
Gas-and Solution-Phase Reactivity of the Acetaldehyde Enolate as a Test Case
(1999) Journal of Physical Chemistry A, 103 (2-10), pp. 1367-1375. Cited 30 times.
http://www.scopus.com/inward/record.url?eid=2-s2.00033097377&partnerID=40&md5=c6545750cc7bd659492ad9eca87f5825
DOCUMENT TYPE: Article
SOURCE: Scopus
Contreras, R.R., Fuentealba, P., Galván, M., Pérez, P.
A direct evaluation of regional Fukui functions in molecules
(1999) Chemical Physics Letters, 304 (5-6), pp. 405-413. Cited 207 times.
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Escuela de Pregrado – Facultad de Ciencias – Universidad de Chile
http://www.scopus.com/inward/record.url?eid=2-s2.00001154851&partnerID=40&md5=24a6d807487626deb2f81dd33033a90a
DOCUMENT TYPE: Article
SOURCE: Scopus
Pérez, P., Contreras, R.
A theoretical analysis of the gas-phase protonation of hydroxylamine, methylderivatives and aliphatic amino acids
(1998) Chemical Physics Letters, 293 (3-4), pp. 239-244. Cited 27 times.
http://www.scopus.com/inward/record.url?eid=2-s2.00039986505&partnerID=40&md5=538d377c5b9872c7008b38b8606b4fcb
DOCUMENT TYPE: Article
SOURCE: Scopus
Contreras, R., Andrés, J., Pérez, P., Aizman, A., Tapia, O.
Theory of non-local (pair site) reactivity from model static-density response functions
(1998) Theoretical Chemistry Accounts, 99 (3), pp. 183-191. Cited 12 times.
http://www.scopus.com/inward/record.url?eid=2-s2.00032377213&partnerID=40&md5=8b7393f3c87cb8fe617e0b6b623b978f
DOCUMENT TYPE: Article
SOURCE: Scopus
Contreras, R., Safont, V.S., Pérez, P., Andrés, J., Moliner, V., Tapia, O.
A density functional theory analysis of the gas and solution phase isomerization
reactions of MCN, (M = H, Li, Na) systems
(1998) Journal of Molecular Structure: THEOCHEM, 426 (1-3), pp. 277-288. Cited 9
times.
http://www.scopus.com/inward/record.url?eid=2-s2.00011564098&partnerID=40&md5=ce8211b96df623f7feca6eb3cded14f9
DOCUMENT TYPE: Article
SOURCE: Scopus
Pérez, P., Contreras, R., Vela, A., Tapia, O.
Relationship between the electronic chemical potential and proton transfer barriers
(1997) Chemical Physics Letters, 269 (5-6), pp. 419-427. Cited 19 times.
http://www.scopus.com/inward/record.url?eid=2-s2.00031560719&partnerID=40&md5=55e9a0cbf5f73ac545cb566b81a1e3a0
DOCUMENT TYPE: Article
SOURCE: Scopus
Mendizábal, F., Contreras, R., Aizman, A.
Molecular modelling of lithium intercalation in 1T-TiS2
(1997) Journal of Physics Condensed Matter, 9 (14), pp. 3011-3021. Cited 15 times.
http://www.scopus.com/inward/record.url?eid=2-s2.00000238291&partnerID=40&md5=ca4bc6ef9b004d0a71aca74e66fd4518
DOCUMENT TYPE: Article
SOURCE: Scopus
Pérez, P., Contreras, R., Aizman, A.
Relationship between solvation energy, chemical potential and hardness variations
(1997) Journal of Molecular Structure: THEOCHEM, 390 (1-3), pp. 169-175. Cited 7
times.
http://www.scopus.com/inward/record.url?eid=2-s2.00041762790&partnerID=40&md5=60095c801610652baa7564b310e2b189
DOCUMENT TYPE: Article
17
Escuela de Pregrado – Facultad de Ciencias – Universidad de Chile
SOURCE: Scopus
Pérez, P., Contreras, R., Aizman, A.
Electrostatic and non-electrostatic contributions to hydrogen bonding and proton
transfer in solution phase
(1996) Journal of Physical Chemistry, 100 (50), pp. 19326-19332. Cited 3 times.
http://www.scopus.com/inward/record.url?eid=2-s2.00011742528&partnerID=40&md5=8c29792b542211fd54edffd10c12b308
DOCUMENT TYPE: Article
SOURCE: Scopus
Pérez, P., Contreras, R., Aizman, A.
Solvation energies from the linear response function of density functional theory
(1996) Chemical Physics Letters, 260 (1-2), pp. 236-242. Cited 20 times.
http://www.scopus.com/inward/record.url?eid=2-s2.00030595233&partnerID=40&md5=c6633f71f13ebeb8a37be64903e81b85
DOCUMENT TYPE: Article
SOURCE: Scopus
Pérez, P., Contreras, R.
Analysis of gas phase proton transfer using density functional theory. The H2O · · · HX
(X = F, Cl and OH) system
(1996) Chemical Physics Letters, 256 (1-2), pp. 15-20. Cited 10 times.
http://www.scopus.com/inward/record.url?eid=2-s2.00030167076&partnerID=40&md5=4ae656fc894734fec5336175f22feaf2
DOCUMENT TYPE: Article
SOURCE: Scopus
Mendizabal, F., Contreras, R., Aizman, A.
The electronic chemical potential as a basis for a cluster model approximation for
intercalation of Li in 1T - TiS2
(1995) Journal of Molecular Structure: THEOCHEM, 335 (1-3), pp. 161-166. Cited 4
times.
http://www.scopus.com/inward/record.url?eid=2-s2.04043105425&partnerID=40&md5=86ea55d60b792a81c2158ca96cd8c737
DOCUMENT TYPE: Article
SOURCE: Scopus
Contreras, R.R., Mendizabal, F., Aizman, A.J.
Energy-density relationships for the treatment of ion solvation within density-functional
theory
(1994) Physical Review A, 49 (5), pp. 3439-3444. Cited 3 times.
http://www.scopus.com/inward/record.url?eid=2-s2.00011455499&partnerID=40&md5=72c5b4b0bd1e16eef09be9e5dcf0c793
DOCUMENT TYPE: Article
SOURCE: Scopus
Lahsen, J., Toro-Labbe, A., Contreras, R., Aizman, A.
Desolvation effects on the dissociation energy of diatomic molecules:Ab initio study of
the dissociation of Li-F in polar media
(1993) Theoretica Chimica Acta, 86 (3), pp. 211-217. Cited 1 time.
http://www.scopus.com/inward/record.url?eid=2-s2.00003510825&partnerID=40&md5=b16ad90325a565791b383cc8c2223d26
DOCUMENT TYPE: Article
SOURCE: Scopus
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Escuela de Pregrado – Facultad de Ciencias – Universidad de Chile
Contreras, R.R., Aizman, A.J.
Electrostatic contributions to thermodynamic properties of aqueous ions from
electrostatic potentials defined in the context of density functional theory
(1993) Journal of Molecular Structure: THEOCHEM, 282 (1-2), pp. 143-149. Cited 3
times.
http://www.scopus.com/inward/record.url?eid=2-s2.00004365060&partnerID=40&md5=471a6b0822d3fd154f63b59ec2e9fbd4
DOCUMENT TYPE: Article
SOURCE: Scopus
Contreras, R.R., Mendizabal, F., Aizman, A.
Modeling the interaction of a neutral polymer with small ions in solution. A theoretical
study of ion binding to a neutral polymer
(1992) Molecular Engineering, 2 (3), pp. 287-295.
http://www.scopus.com/inward/record.url?eid=2-s2.034249837779&partnerID=40&md5=2190eb66568fab70ea669281df107157
DOCUMENT TYPE: Article
SOURCE: Scopus
Contreras, R., Aizman, A., Parra, J.
Theoretical study of alkoxide ion solvation and its effect on the relative acidity of
alcohols in DMSO
(1986) Chemical Physics Letters, 127 (2), pp. 169-171. Cited 1 time.
http://www.scopus.com/inward/record.url?eid=2-s2.046149130593&partnerID=40&md5=c5fe2abf604bd382ea28a482e68e3c4a
DOCUMENT TYPE: Article
SOURCE: Scopus
Contreras, R., Gomez-Jeria, J.S.
Proton transfer in water polymers as a model for intime and solvent-separated ion pairs
(1984) Journal of Physical Chemistry, 88 (9), pp. 1905-1908. Cited 4 times.
http://www.scopus.com/inward/record.url?eid=2-s2.01842690349&partnerID=40&md5=e46f7807eba4bc542d1df86b8cf2fd15
DOCUMENT TYPE: Article
SOURCE: Scopus
Constanciel, R., Contreras, R.
Self consistent field theory of solvent effects representation by continuum models:
Introduction of desolvation contribution
(1984) Theoretica Chimica Acta, 65 (1), pp. 1-11. Cited 83 times.
http://www.scopus.com/inward/record.url?eid=2-s2.034250133104&partnerID=40&md5=4fc75db186f31c52e656777e2dc1136d
DOCUMENT TYPE: Article
SOURCE: Scopus
PROYECTOS DE INVESTIGACIÓN :
INVESTIGADOR RESPONSABLE . 1110062 THEORETICAL STUDIES ON
REACTIVE INTERMEDIATES. STABILITY AND REACTIVITY OF WATER OXIDES
AND AMMONIA OXIDES. 2011
COINVESTIGADOR. 1100644 ORGANIC REACTIONS IN IONIC LIQUIDS: A
THEORETICAL APPROACH. 2010
19
Escuela de Pregrado – Facultad de Ciencias – Universidad de Chile
INVESTIGADOR RESPONSIBLE. 7090009 APPLICATIONS OF THEORETICAL N
SCALES OF NUCLEOPHILICITY AND NUCLEOFUGALITY TO THE STUDY OF
NUCLEOPHILIC SUBSTITUTION AND ELIMINATION REACTIONS. 2009
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SCALES OF NUCLEOPHILICITY AND NUCLEOFUGALITY TO THE STUDY OF
NUCLEOPHILIC SUBSTITUTION AND ELIMINATION REACTIONS. 2007
INVESTIGADOR RESPONSIBLE. 7070041 APPLICATIONS OF THEORETICAL N
SCALES OF NUCLEOPHILICITY AND NUCLEOFUGALITY TO THE STUDY OF
NUCLEOPHILIC SUBSTITUTION AND ELIMINATION REACTIONS. 2007
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COINVESTIGADOR. 1000711 MODELOS DE REACTIVIDAD LINEALES TIPO
HAMMETT Y SU JUSTIFICACION EN TEORIA DE FUNCIONALES DE LA
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CONCEPTOS DE SELECTIVIDAD Y ACTIVACION DE SITIOS EN TEORIA DE
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CONCEPTOS DE SELECTIVIDAD Y ACTIVACION DE SITIOS EN TEORIA DE
FUNCIONALES DE LA DENSIDAD. 2000
INVESTIGADOR RESPONSABLE. 1970212 MODELOS DE REACTIVIDAD
QUIMICA INTRINSECA. ANALISIS TEORICO DE PROCESOS DE TRANSFERENCIA
DE PROTON EN FASE GAS. 1997
COINVESTIGADOR. 1950677 REACTIVIDAD QUIMICA EN SOLUCION A PARTIR
DE INDICES LOCALES DE LA TEORIA DE FUNCIONALES DE LA DENSIDAD. 1995
INVESTIGADOR RESPONSABLE. 1940348 DESARROLLO DE UN MODELO DE
MEDIO EFECTIVO PARA EL ESTUDIO DE PROPIEDADES FISICAS Y
REACTIVIDAD QUIMICA DE ATOMOS Y MOLECULAS EN FASES FUERTEMENTE
CONDENSADAS. 1994
Actualización, mayo 2014
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