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Results: 1-10 |
Results: 10
THEORY OF NONLOCAL (PAIR SITE) REACTIVITY FROM MODEL STATIC-DENSITY RESPONSE FUNCTIONS
Authors: CONTRERAS R ANDRES J PEREZ P AIZMAN A TAPIA O
Citation: R. Contreras et al., THEORY OF NONLOCAL (PAIR SITE) REACTIVITY FROM MODEL STATIC-DENSITY RESPONSE FUNCTIONS, Theoretical chemistry accounts, 99(3), 1998, pp. 183-191
HYDROGEN-BONDING AND DISSOCIATION EFFECTS ON THE GAS-PHASE PROTON-TRANSFER REACTIONS OF OZONE
Authors: CONTRERAS R SAFONT VS ANDRES J PEREZ P AIZMAN A TAPIA O
Citation: R. Contreras et al., HYDROGEN-BONDING AND DISSOCIATION EFFECTS ON THE GAS-PHASE PROTON-TRANSFER REACTIONS OF OZONE, Theoretical chemistry accounts, 99(1), 1998, pp. 60-63
MOLECULAR MODELING OF LITHIUM INTERCALATION IN 1T-TIS2
Authors: MENDIZABAL F CONTRERAS R AIZMAN A
Citation: F. Mendizabal et al., MOLECULAR MODELING OF LITHIUM INTERCALATION IN 1T-TIS2, Journal of physics. Condensed matter, 9(14), 1997, pp. 3011-3021
RELATIONSHIP BETWEEN SOLVATION ENERGY, CHEMICAL-POTENTIAL AND HARDNESS VARIATIONS
Authors: PEREZ P CONTRERAS R AIZMAN A
Citation: P. Perez et al., RELATIONSHIP BETWEEN SOLVATION ENERGY, CHEMICAL-POTENTIAL AND HARDNESS VARIATIONS, Journal of molecular structure. Theochem, 390, 1997, pp. 169-175
ELECTROSTATIC AND NONELECTROSTATIC CONTRIBUTIONS TO HYDROGEN-BONDING AND PROTON-TRANSFER IN SOLUTION-PHASE
Authors: PEREZ P CONTRERAS R AIZMAN A
Citation: P. Perez et al., ELECTROSTATIC AND NONELECTROSTATIC CONTRIBUTIONS TO HYDROGEN-BONDING AND PROTON-TRANSFER IN SOLUTION-PHASE, Journal of physical chemistry, 100(50), 1996, pp. 19326-19332
SOLVATION ENERGIES FROM THE LINEAR-RESPONSE FUNCTION OF DENSITY-FUNCTIONAL THEORY
Authors: PEREZ P CONTRERAS R AIZMAN A
Citation: P. Perez et al., SOLVATION ENERGIES FROM THE LINEAR-RESPONSE FUNCTION OF DENSITY-FUNCTIONAL THEORY, Chemical physics letters, 260(1-2), 1996, pp. 236-242
THE ELECTRONIC CHEMICAL-POTENTIAL AS A BASIS FOR A CLUSTER MODEL APPROXIMATION FOR INTERCALATION OF LI IN 1T-TIS2
Authors: MENDIZABAL F CONTRERAS R AIZMAN A
Citation: F. Mendizabal et al., THE ELECTRONIC CHEMICAL-POTENTIAL AS A BASIS FOR A CLUSTER MODEL APPROXIMATION FOR INTERCALATION OF LI IN 1T-TIS2, Journal of molecular structure. Theochem, 335, 1995, pp. 161-166
A MODEL FOR THE CHARGE CAPACITY OF 1T-TIS2 INTERCALATED WITH LI
Authors: MENDIZABAL F CONTRERAS R AIZMAN A
Citation: F. Mendizabal et al., A MODEL FOR THE CHARGE CAPACITY OF 1T-TIS2 INTERCALATED WITH LI, International journal of quantum chemistry, 56(6), 1995, pp. 819-823
A DENSITY-FUNCTIONAL THEORY FORMULATION OF THE REACTION FIELD MODEL OF SOLVENT EFFECTS
Authors: CONTRERAS R PEREZ P AIZMAN A
Citation: R. Contreras et al., A DENSITY-FUNCTIONAL THEORY FORMULATION OF THE REACTION FIELD MODEL OF SOLVENT EFFECTS, International journal of quantum chemistry, 56(5), 1995, pp. 433-444
DESOLVATION EFFECTS ON THE DISSOCIATION-ENERGY OF DIATOMIC-MOLECULES - AB-INITIO STUDY OF THE DISSOCIATION OF LI-F IN POLAR MEDIA
Authors: LAHSEN J TOROLABBE A CONTRERAS R AIZMAN A
Citation: J. Lahsen et al., DESOLVATION EFFECTS ON THE DISSOCIATION-ENERGY OF DIATOMIC-MOLECULES - AB-INITIO STUDY OF THE DISSOCIATION OF LI-F IN POLAR MEDIA, Theoretica Chimica Acta, 86(3), 1993, pp. 211-217
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