Patricia Pérez - Dissemin

Papers authored by Patricia Pérez

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2012 Luis Ramon Domingo Asensi, José Antonio Sáez Cases, Luis R. Domingo, Patricia Pérez

, Maria José Aurell Piquer, M. Jose Aurell, Jose A. Saez

Understanding the Bond Formation in Hetero Diels-Alder Reactions. An ELF Analysis of the Reaction of Nitroethylene with Dimethylvinylamine.

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L. R. Domingo, M. J. Aurell, P. Perez

, J. A. Saez

Understanding the origin of the asynchronicity in bond-formation in polar cycloaddition reactions. A DFT study of the 1,3-dipolar cycloaddition reaction of carbonyl ylides with 1,2-benzoquinones

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2011 Al Mokhtar Lamsabhi, Inés Corral

, Patricia Pérez

, Orlando Tapia, Manuel Yáñez

Oxygenation of the phenylhalocarbenes. Are they spin-allowed or spin-forbidden reactions?

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Patricia Perez

, Eduardo Chamorro

Theoretical Analysis of Substituted Diels - Alder Reagents to Determine the Polar or Non Polar Character of the Reaction

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Luis R. Domingo, Patricia Pérez

The nucleophilicity N index in organic chemistry

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2010 Luis R. Domingo, Eduardo Chamorro, Patricia Perez

Understanding the High Reactivity of the Azomethine Ylides in [3 + 2] Cycloaddition Reactions

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Patricia Pérez

, Eduardo Chamorro

Global and local reactivity of N-heterocyclic carbenes with boron and phosphorus atoms: An analysis based on spin polarized density functional framework

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Luis R. Domingo, Eduardo Chamorro, Patricia Pérez

Understanding the mechanism of non-polar Diels-Alder reactions. A comparative ELF analysis of concerted and stepwise diradical mechanisms

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2009 Frank De Proft, Eduardo Chamorro, Patricia Pérez

, Mario Duque, Freija De Vleeschouwer, Paul Geerlings

Spin-polarized reactivity indices from density functional theory: theory and applications

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Luis R. Domingo, Eduardo Chamorro, Patricia Perez

An Analysis of the Regioselectivity of 1,3-Dipolar Cycloaddition Reactions of Benzonitrile N-Oxides Based on Global and Local Electrophilicity and Nucleophilicity Indices

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Paula Jaramillo, Patricia Pérez

, Patricio Fuentealba

On the Nucleophilicity of Boryllithium Compounds. A Theoretical Study

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Eduardo Chamorro, Mario Duque-Norena, Patricia Perez

Further relationships between theoretical and experimental models of electrophilicity and nucleophilicity

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Paula Jaramillo, Patricia Pérez

, Patricio Fuentealba, Sylvio Canuto, Kaline Coutinho

Solvent Effects on Global Reactivity Properties for Neutral and Charged Systems Using the Sequential Monte Carlo Quantum Mechanics Model

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Ghenia Bentabed-Ababsa, Aicha Derdour, Thierry Roisnel, José Antonio Sáez Cases, Patricia Pérez

, Eduardo Chamorro, Luis R. Domingo, Florence Mongin

A Combined Experimental and Theoretical Study of the Polar [3 + 2] Cycloaddition of Electrophilically Activated Carbonyl Ylides with Aldehydes and Imines

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Patricia Pérez

, Luis R. Domingo, Mario Duque-Noreña, Eduardo Chamorro

A condensed-to-atom nucleophilicity index. An application to the director effects on the electrophilic aromatic substitutions

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Eduardo Chamorro, Mario Duque-Noreña, Patricia Pérez

A comparison between theoretical and experimental models of electrophilicity and nucleophilicity

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2008 Paula Jaramillo, Luis R. Domingo, Eduardo Chamorro, Patricia Perez

A further exploration of a nucleophilicity index based on the gas-phase ionization potentials

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E. Chamorro, P. Pérez

, M. Duque, F. De Proft, P. Geerlings

Dual descriptors within the framework of spin-polarized density functional theory

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Al Mokhtar Lamsabhi, Otilia Mó

, Soledad Gutiérrez-Oliva, Patricia Perez

, Alejandro Toro-Labbé

, Manuel Yáñez

The mechanism of double proton transfer in dimers of uracil and 2-thiouracil-The reaction force perspective

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P. Pérez

, E. Chamorro, Paul W. Ayers

Universal mathematical identities in density functional theory: Results from three different spin-resolved representations

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Papers authored by Patricia Pérez