Patricia Pérez - Dissemin

Papers authored by Patricia Pérez

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2015 Patricia Pérez

, Diana Yepes, Pablo Jaque, Eduardo Chamorro, Luis R. Domingo, Rene S. Rojas, Alejandro Toro-Labbé

A computational and conceptual DFT study on the mechanism of hydrogen activation by novel frustrated Lewis pairs

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Mar Ríos-Gutiérrez, Luis R. Domingo, Patricia Pérez

A bonding evolution theory study of the mechanism of [3+2] cycloaddition reactions of nitrones with electron-deficient ethylenes

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2014 Eduardo Chamorro, Patricia Perez, P. Pérez

, Mario Duque-Noreña, Pierre Paul Romagnoli, Daniel Pons, Mauricio Gonzalez

Average local ionization potential within the framework of the electron localization function

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Luis R. Domingo, Maria J. Aurell, Patricia Pérez

Understanding the polar mechanism of the ene reaction. A DFT study

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Luis R. Domingo

, Maria J. Aurell, Patricia Pérez

A DFT analysis of the participation of zwitterionic TACs in polar [3+2] cycloaddition reactions

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Luis R. Domingo, Maria J. Aurell, Patricia Pérez

The mechanism of ionic Diels–Alder reactions. A DFT study of the oxa-Povarov reaction

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Luis R. Domingo, Patricia Pérez

A quantum chemical topological analysis of the C-C bond formation in organic reactions involving cationic species

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Diana Yepes, Jane S. Murray, Patricia Pérez

, Luis R. Domingo, Peter Politzer, Pablo Jaque

Complementarity of reaction force and electron localization function analyses of asynchronicity in bond formation in Diels-Alder reactions

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2013 Eduardo Chamorro, Patricia Pérez

, Luis R. Domingo

On the nature of Parr functions to predict the most reactive sites along organic polar reactions

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Andres Reyes, Paola Andrea Cuervo, Fabian Orozco, Rodrigo Abonia, Mario Duque-Noreña, Patricia Pérez

, Eduardo Chamorro

Theoretical investigation of the selectivity in intramolecular cyclizations of some 2’–aminochalcones to dihydroquinolin–8–ones and indolin–3–ones

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Ángel Vegas, Rafael Notario, Eduardo Chamorro, Patricia Pérez

, Joel F. Liebman

Isoelectronic and isolobal O, CH₂, CH₃⁺and BH₃as electron pairs; similarities between molecular and solid-state chemistry

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Eduardo E. Chamorro, Mario Alberto Duque-Noreña, Rafael Notario, Patricia Pérez

Intrinsic Relative Scales of Electrophilicity and Nucleophilicity

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Luis Ramon Domingo, Patricia Pérez

, Daniela E. Ortega

Why Do Five-Membered Heterocyclic Compounds Sometimes Not Participate in Polar Diels-Alder Reactions?

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Luis R. Domingo, Patricia Pérez

, José A. Sáez

Understanding C–C bond formation in polar reactions. An ELF analysis of the Friedel–Crafts reaction between indoles and nitroolefins

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Luis R. Domingo, Patricia Pérez

Global and local reactivity indices for electrophilic/nucleophilic free radicals

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Luis R. Domingo, Patricia Pérez

, Jose A. Sáez

Understanding the regioselectivity in hetero Diels–Alder reactions. An ELF analysis of the reaction between nitrosoethylene and 1-vinylpyrrolidine

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Diana Yepes, Oscar Donoso-Tauda, Patricia Pérez

, Jane S. Murray, Peter Politzer, Pablo Jaque

The reaction force constant as an indicator of synchronicity/nonsynchronicity in [4+2] cycloaddition processes

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Luis R. Domingo, Patricia Pérez

, José A. Sáez

Understanding the local reactivity in polar organic reactions through electrophilic and nucleophilic Parr functions

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2012 Eduardo Chamorro, Jorge Bessolo, Mario Duque-Noreña, Patricia Pérez

Intrinsic electronic reorganization energy in the electron transfer from substituted N,N-dimethylanilines to phthalimide N-oxyl radical

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Luis R. Domingo, Patricia Pérez

, Jose A. Sáez

Origin of the synchronicity in bond formation in polar Diels-Alder reactions: An ELF analysis of the reaction between cyclopentadiene and tetracyanoethylene

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Papers authored by Patricia Pérez