Patricia Pérez - Dissemin

Papers authored by Patricia Pérez

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2001 Patricia Pérez

Theoretical Study of the Effect of the Substituents on the Gas Phase Acidity of Alcohols and Silanols

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Patricia Pérez

, Alejandro Toro-Labbé

, Renato Contreras

Solvent Effects on Electrophilicity

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Patricia Pérez

, Alejandro Toro-Labbé

Theoretical analysis of some substituted imine-enamine tautomerism

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Pratim K. Chattaraj, Patricia Pérez

, Jenny Zevallos, Alejandro Toro-Labbé

Ab Initio SCF and DFT Studies on Solvent Effects on Intramolecular Rearrangement Reactions

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2000 Patricia Pérez

, Alejandro Toro-Labbé

, Renato Contreras

A Semiquantitative Description of Electrostatics and Polarization Substituent Effects: Gas-Phase Acid−Base Equilibria as Test Cases

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P. Ferez, Patricia Pérez

, Alejandro Toro-Labbé

, Renato Contreras

Global and Local Analysis of the Gas-Phase Acidity of Haloacetic Acids

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P. Pérez

, Y. Simón-Manso, A. Aizman, P. Fuentealba, R. Contreras

Empirical Energy−Density Relationships for the Analysis of Substituent Effects in Chemical Reactivity

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Patricia Pérez

, Alejandro Toro-Labbé

Characterization of Keto-Enol Tautomerism of Acetyl Derivatives from the Analysis of Energy, Chemical Potential, and Hardness

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P. Fuentealba, P. Pérez

, R. Contreras

On the condensed Fukui function

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1999 P. Pérez

, R. Contreras, A. Aizman

Sites of protonation of N 2-substituted N 1, N 1-dimethyl formamidines from regional reactivity indices

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Patricia Pérez

, Alejandro Toro-Labbé

, Renato Contreras

HSAB Analysis of Charge Transfer in the Gas-Phase Acid−Base Equilibria of Alkyl-Substituted Alcohols

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Renato R. Contreras, Patricio Fuentealba, Marcelo Galván, Patricia Pérez

A direct evaluation of regional Fukui functions in molecules

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Renato Contreras, Luis R. Domingo, Juan Andrés, Patricia Pérez

, Orlando Tapia

Nonlocal (Pair Site) Reactivity from Second-Order Static Density Response Function: Gas- and Solution-Phase Reactivity of the Acetaldehyde Enolate as a Test Case

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P. Pérez

, G. Zapata-Torres, J. Parra-Mouchet, R. Contreras

Basicity and solvent effects on hydrogen bonding in NR3 ⋯ HCOOH (R = H, CH3) model systems

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1998 Patricia Pérez

, Renato Contreras

A theoretical analysis of the gas-phase protonation of hydroxylamine, methyl-derivatives and aliphatic amino acids

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Renato Contreras, Juan Andrés, Patricia Pérez

, Arie Aizman, Orlando Tapia

Theory of non-local (pair site) reactivity from model static-density response functions

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R. Contreras, V. S. Safont, P. Pérez

, J. Andrés, V. Moliner, O. Tapia

A density functional theory analysis of the gas and solution phase isomerization reactions of MCN, (M = H, Li, Na) systems

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R. Contreras, V. S. Safont, J. Andrés, P. Pérez

, A. Aizman, O. Tapia

Hydrogen bonding and dissociation effects on the gas phase proton transfer reactions of ozone

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1997 Patricia Prrez, Patricia Pérez

, Renato Contreras, Alberto Vela, Orlando Tapia

Relationship between the electronic chemical potential and proton transfer barriers

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Patricia Pérez

, Renato Contreras, Arie Aizman

Relationship between solvation energy, chemical potential and hardness variations

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Papers authored by Patricia Pérez