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Patricia del Carmen Perez Lopez

Full Professor

UNIVERSIDAD ANDRÉS BELLO

Santiago, Chile

Theoretical and Computational Chemistry; Theoretical Physical Organic Chemistry; Chemical Reactivity; Physical Chemistry; Reaction mechanisms.

Chemistry, UNIVERSIDAD DE CHILE. Chile, 1999
Chemistry, UNIVERSIDAD DE CHILE. Chile, 1991

Full Professor Full Time

Universidad Andrés Bello

Exact Sciences

Santiago, Chile

2007 - 2025
Associate Professor Full Time

Universidad Andrés Bello

Ciencias Exacta

Santiago, Chile

2003 - 2005
Adjoint Professor Full Time

UNIVERSIDAD DE CHILE

Sciences

Santiago, Chile

2005 - 2007
Full Professor Full Time

UNIVERSIDAD SAN SEBASTIAN

Ciencias

SANTIAGO, Chile

2025 - A la fecha

Chair Chemistry Study Group Other

Fondecyt

Santiago, Chile

2011 - 2012

1. Dr. Paula Jaramillo (2003-2007). “Estudio teórico de reactividad química en modelos orgánicos de carácter polar”. PhD in Physical Chemistry , UNAB-Chile. At present Dr. Jaramillo has a position at Universidad de Integración Latinoamericana, UNILA, Brasil.
2. Dr. Jorge A. Bessolo Muñoz. (2008-2012) “Desarrollo y aplicación de modelos de transferencia de carga y de electrones en el contexto de la teoría de funcionales de la densidad (DFT)”. PhD in Physical Chemistry , UNAB-Chile. At present Dr. Bessolo works in the Industry.
3. Dr. Al Mokhtar Lamsabhi (2005-2006), Posdoc Millennial Nucleus- Chile. At present Dr. Lamsabhi has a position at Universidad Autónoma de Madrid, Spain.
4. Dr. Diana Yepes (2014-2017), Fondecyt Fellow. Caracterización teórica del grado de sincronicidad/asincronicidad en reacciones de cicloadición.
5. Dr. Daniela Ortega U. (2012) Undergraduate Chemistry Program, UNAB-Chile. “Estudio de estereo- y regio-selectividad de dienos nucleofílicos no aromáticos en reacciones de Diels-Alder”. At present Daniela is graduate PhD in Chemistry, Pontificia Universidad Católica de Chile.
6. Darwin Burgos C. (2006) Undergraduate Chemistry Program,Universidad de Chile-Chile. “Exploración de los indices de reactividad global y local definidos en la teoria del funcional de la densidad como potenciales descriptores de la toxicidad de compuestos aromáticos”. El Dr. Burgos is PhD graduate at the Universidad de Chile, Chile.
7. Cristobal Fuentes Jerez (2018).Undergraduate Chemistry Program, UNAB-Chile. “Exploración del efecto sustituyente en la formación de enlaces C-C en reacciones 2-aza Diels-Alder ”.
8. Leandro Ayarde Henríquez. “Identificación y caracterización de huellas topológicas en reacciones químicas.” Programa de Doctorado en Fisicoquímica Molecular. UNAB-Chile. Tesis finalizada año 2022.


Advanced Molecular Electron Density Theory Study of the Substituent Effects in Nucleophilic Substitution Reactions Domingo L.R.; Perez P.; Rios-Gutiérrez, M; Aurell, MJ Article ISI SCOPUS ACS Omega (2025)
How Different Are Nitrile Oxides from Nitrones in zw-type [3+2] Cycloaddition Reactions? A Molecular Electron Density Theory Study Domingo L.R.; Perez P. Article ISI SCOPUS Journal of Organic Chemistry (2025)
Mechanistic Insights into the [3+2] Cycloaddition Reaction of Azomethine Ylides with Methyl Vinyl Ketone in the Triplet Excited State: A Molecular Electron Density Theory Study Domingo L.R.; Perez P.; Barakat A. Article ISI SCOPUS European Journal of Organic Chemistry (2025)
Towards a unified fold-cusp model for bond polarity scaling: electron rearrangements in the pyrolytic isomerization of cubane to cyclooctatetraene Chamorro, Eduardo Article ISI SCOPUS Journal of Molecular Modeling (2025)
Unveiling the Role of the Lewis Acids in the Acceleration of Alder-Ene Reactions: A Molecular Electron Density Theory Study Domingo, Luis R.; Perez, Patricia Article ISI SCOPUS Molecules (2025)
A molecular electron density theory study of the bimolecular nucleophilic substitution reactions on monosubstituted methyl compounds Domingo L.R.; Perez P.; Rios-Gutiérrez, M; Aurell, MJ Article ISI SCOPUS Organic and Biomolecular Chemistry (2024)
Understanding the Electronic Effects of Lewis Acid Catalysts in Accelerating Polar Diels-Alder Reactions Domingo L.R.; Rios-Gutiérrez, M; Perez P. Article ISI SCOPUS Journal of Organic Chemistry (2024)
A molecular electron density theory study of the higher-order cycloaddition reactions of tropone with electron-rich ethylenes. The role of the Lewis acid catalyst in the mechanism andpseudocyclicselectivity Domingo L.R.; PÃƒÂ©rez P. Article ISI SCOPUS New Journal of Chemistry (2022)
On the Notation of Catastrophes in the Framework of Bonding Evolution Theory: Case of Normal and Inverse Electron Demand Diels-Alder Reactions Rincon, Elizabeth; Chamorro, Eduardo Article ISI SCOPUS ChemPhysChem (2022)
Understanding the higher-order cycloaddition reactions of heptafulvene, tropone, and its nitrogen derivatives, with electrophilic and nucleophilic ethylenes inside the molecular electron density theory Article ISI SCOPUS New Journal of Chemistry (2022)
Unveiling the Chemistry of Higher-Order Cycloaddition Reactions within the Molecular Electron Density Theory Article ISI SCOPUS Chemistry (Switzerland) (2022)
Are There Only Fold Catastrophes in the Diels-Alder Reaction Between Ethylene and 1,3-Butadiene? Rincon, Elizabeth; Chamorro, Eduardo Article ISI SCOPUS Journal of Physical Chemistry A (2021)
On the nature of bonding in the photochemical addition of two ethylenes: C-C bond formation in the excited state? Chamorro, Eduardo Article ISI SCOPUS Physical Chemistry Chemical Physics (2021)
Perfluorobicyclo[2.2.0]hex-1(4)-ene as unique partner for Diels-Alder reactions with benzene: a density functional theory study Kacka-Zych, Agnieszka Article ISI SCOPUS Theoretical Chemistry Accounts (2021)
The catalytic effects of a thiazolium salt in the oxa-Diels-Alder reaction between benzaldehyde and Danishefsky's diene: a molecular electron density theory study Article ISI SCOPUS Organic and Biomolecular Chemistry (2021)
A molecular electron density theory study of the enhanced reactivity of aza aromatic compounds participating in Diels–Alder reactions Article ISI, Scopus Organic and Biomolecular Chemistry (2020)
A molecular electron density theory study of the participation of tetrazines in aza-Diels-Alder reactions Article ISI SCOPUS RSC Advances (2020)
Lithium Cation-Catalyzed Benzene Diels-Alder Reaction: Insights on the Molecular Mechanism Within the Molecular Electron Density Theory Article ISI SCOPUS Journal of Organic Chemistry (2020)
Unveiling the Lewis Acid Catalyzed Diels-Alder Reactions Through the Molecular Electron Density Theory Article ISI SCOPUS Molecules (2020)
A molecular electron density theory study of the insertion of CO into frustrated Lewis pair boron-amidines: a [4+1] cycloaddition reaction Article ISI SCOPUS DALTON TRANSACTIONS (2019)
Are one-step aromatic nucleophilic substitutions of non-activated benzenes concerted processes? RÃos-GutiÃ©rrez M. Article ISI SCOPUS ORGANIC & BIOMOLECULAR CHEMISTRY (2019)
Effect of the exchange-correlation functional on the synchronicity/nonsynchronicity in bond formation in Diels-Alder reactions: a reaction force constant analysis Yepes, Diana; Valenzuela, Joel; Jaque, Pablo Article ISI SCOPUS Physical Chemistry Chemical Physics (2019)
Unveiling the high reactivity of cyclohexynes in [3+2] cycloaddition reactions through the molecular electron density theory Domingo L.R. Article ISI SCOPUS ORGANIC & BIOMOLECULAR CHEMISTRY (2019)
A Molecular Electron Density Theory Study of the Competitiveness of Polar Diels-Alder and Polar Alder Ene Reactions Article MOLECULES (2018)
A Molecular Electron Density Theory Study of the Reactivity and Selectivities in [3+2] Cycloaddition Reactions of C,N-Dialkyl Nitrones with Ethylene Derivatives Article SCOPUS Journal of Organic Chemistry (2018)
Global and local reactivity descriptors based on quadratic and linear energy models for ?,?-unsaturated organic compounds Oller J.; VÃ¶hringer-Martinez E. Article ISI SCOPUS International Journal of Quantum Chemistry (2018)
On the electron flow sequence driving the hydrometallation of acetylene by lithium hydride Kaya S.; Rincón, E Article ISI SCOPUS JOURNAL OF MOLECULAR MODELING (2018)
Reaction Electronic Flux Perspective on the Mechanism of the Zimmerman Di-pi-methane Rearrangement Perez, Patricia; Chamorro, Eduardo; Herrera, Bárbara Article ISI SCOPUS JOURNAL OF ORGANIC CHEMISTRY (2018)
The Mysticism of Pericyclic Reactions: A Contemporary Rationalisation of Organic Reactivity Based on Electron Density Analysis Article ISI SCOPUS EUROPEAN JOURNAL OF ORGANIC CHEMISTRY (2018)
A molecular electron density theory study of the [3 + 2] cycloaddition reaction of nitrones with strained allenes Article ISI RSC Advances (2017)
Effect of Lewis acid bulkiness on the stereoselectivity of Diels-Alder reactions between acyclic dienes and alpha,beta-enals Fernández, Israel Article ISI SCOPUS ORGANIC CHEMISTRY FRONTIERS (2017)
Electrophilic activation of CO2 in cycloaddition reactions towards a nucleophilic carbenoid intermediate: new defying insights from the molecular electron density theory. Article ISI THEORETICAL CHEMISTRY ACCOUNTS (2017)
How does the global electron density transfer diminish activation energies in polar cycloaddition reactions? A Molecular Electron Density Theory study Domingo, Luis R.; Ríos-Gutiérrez, Mar Article SCOPUS Tetrahedron (2017)
A new model for C-C bond formation processes derived from the Molecular Electron Density Theory in the study of the mechanism of [3+2] cycloaddition reactions of carbenoid nitrile ylides with electron-deficient ethylenes Domingo L.R.; Rios-Gutiérrez, M; Perez P. Article ISI SCOPUS TETRAHEDRON (2016)
Applications of the Conceptual Density Functional Theory Indices to Organic Chemistry Reactivity Article MOLECULES (2016)
Aromaticity in Pericyclic Transition State Structures? A Critical Rationalisation Based on the Topological Analysis of Electron Density Domingo, Luis R.; Ríos-Gutiérrez, Mar Article ISI CHEMISTRYSELECT (2016)
Electrophilic activation of CO2 in cycloaddition reactions towards a nucleophilic carbenoid intermediate: new defying insights from the Molecular Electron Density Theory Domingo, Luis R.; Ríos-Gutiérrez, Mar Article ISI THEORETICAL CHEMISTRY ACCOUNTS (2016)
Intrinsic relative nucleophilicity of indoles Duque-Nore?a, Mario; R?os-Guti?rrez, Mar; Domingo, Luis R.; P?rez, Patricia Article ISI SCOPUS THEORETICAL CHEMISTRY ACCOUNTS (2016)
Understanding the [2n+2n] reaction mechanism between a carbenoid intermediate and CO2 Perez P.; Chamorro E. Article ISI SCOPUS MOLECULAR PHYSICS (2016)
Understanding the carbenoid-type reactivity of nitrile ylides in [3+2] cycloaddition reactions towards electron-deficient ethylenes: a molecular electron density theory study Domingo, Luis R.; R?os-Guti?rrez, Mar; Duque-Nore?a, Mario; P?rez, Patricia Article ISI SCOPUS THEORETICAL CHEMISTRY ACCOUNTS (2016)
A bonding evolution theory study of the mechanism of [3+2] cycloaddition reactions of nitrones with electron-deficient ethylenes Rios-Gutiérrez, M; Perez P.; Domingo L.R. Article ISI RSC Advances (2015)
A computational and conceptual DFT study on the mechanism of hydrogen activation by novel frustrated Lewis pairs Perez P.; Yepes D.; Jaque P.; Chamorro E.; Domingo L.R.; Rojas R.S.; Toro-Labbe A. Article ISI SCOPUS Physical Chemistry Chemical Physics (2015)
A DFT Study of Inter- and Intramolecular Aryne Ene Reactions Perez P.; Domingo L.R. Article ISI SCOPUS European Journal of Organic Chemistry (2015)
A DFT study of the ionic [2+2] cycloaddition reactions of keteniminium cations with terminal acetylenes Domingo L.R.; Rios-Gutiérrez, M; Perez P. Article ISI SCOPUS Tetrahedron (2015)
A mechanistic study of the participation of azomethine ylides and carbonyl ylides in [3+2] cycloaddition reactions Perez P. Article ISI SCOPUS TETRAHEDRON (2015)
Understanding the high reactivity of carbonyl compounds towards nucleophilic carbenoid intermediates generated from carbene isocyanides Rios-Gutiérrez, M; Domingo L.R.; Perez P. Article ISI SCOPUS RSC Advances (2015)
Understanding the thermal dehydrochlorination reaction of 1-chlorohexane. Revealing the driving bonding pattern at the planar catalytic reaction center Lopez L.; Ruiz P.; Castro M.; Quijano J.; Duque-Norena, M; Perez P.; Chamorro E. Article ISI SCOPUS RSC Advances (2015)
A DFT analysis of the participation of zwitterionic TACs in polar [3+2] cycloaddition reactions Domingo L.R.; Aurell, MJ; Perez P. Article ISI SCOPUS TETRAHEDRON (2014)
A quantum chemical topological analysis of the C-C bond formation in organic reactions involving cationic species Domingo L.R.; Perez P. Article ISI SCOPUS Physical Chemistry Chemical Physics (2014)
Average local ionization potential within the framework of the electron localization function Chamorro E.; Perez P.; Duque-Norena, M; Pons, D; Gonzalez M. Article ISI SCOPUS INDIAN JOURNAL OF CHEMISTRY SECTION A-INORGANIC BIO-INORGANIC PHYSICAL THEORETICAL & ANALYTICAL CHEMISTRY (2014)
Complementarity of reaction force and electron localization function analyses of asynchronicity in bond formation in Diels-Alder reactions Yepes D.; Murray, JS; Perez P.; Domingo L.R.; Politzer, P; Jaque P. Article ISI SCOPUS Physical Chemistry Chemical Physics (2014)
The mechanism of ionic Diels-Alder reactions. A DFT study of the oxa-Povarov reaction Domingo L.R.; Aurell, MJ; Perez P. Article ISI SCOPUS RSC Advances (2014)
Understanding the polar mechanism of the ene reaction. A DFT study Domingo L.R.; Aurell, MJ; Perez P. Article ISI SCOPUS ORGANIC & BIOMOLECULAR CHEMISTRY (2014)
Global and local reactivity indices for electrophilic/nucleophilic free radicals Domingo L.R.; Perez P. Article ISI SCOPUS Organic and Biomolecular Chemistry (2013)
Intrinsic Relative Scales of Electrophilicity and Nucleophilicity Chamorro E.; Duque-Norena, M; Notario R.; Perez P. Article ISI SCOPUS Journal of Physical Chemistry A (2013)
Isoelectronic and isolobal O, CH2, CH3+ and BH3 as electron pairs; similarities between molecular and solid-state chemistry Vegas A.; Notario R.; Chamorro E.; Perez P.; Liebman, JF Article ISI SCOPUS Acta Crystallographica Section B: Structural Science (2013)
On the nature of Parr functions to predict the most reactive sites along organic polar reactions Chamorro E.; Perez P.; Domingo L.R. Article ISI SCOPUS Chemical Physics Letters (2013)
The reaction force constant as an indicator of synchronicity/nonsynchronicity in [4+2] cycloaddition processes Yepes D.; Donoso-Tauda, O; Perez P.; Murray, JS; Politzer, P; Jaque P. Article ISI SCOPUS Physical Chemistry Chemical Physics (2013)
Theoretical investigation of the selectivity in intramolecular cyclizations of some 2'aEuro"aminochalcones to dihydroquinolin-8-ones and indolin-3-ones Reyes A.; Cuervo, PA; Orozco F.; Abonia, R; Duque-Norena, M; Perez P.; Chamorro E. Article ISI SCOPUS Journal of Molecular Modeling (2013)
Understanding C-C bond formation in polar reactions. An ELF analysis of the Friedel-Crafts reaction between indoles and nitroolefins Domingo L.R.; Perez P.; Saez, JA Article ISI SCOPUS RSC Advances (2013)
Understanding the local reactivity in polar organic reactions through electrophilic and nucleophilic Parr functions Domingo L.R.; Perez P.; Saez, JA Article ISI SCOPUS RSC Advances (2013)
Understanding the regioselectivity in hetero Diels-Alder reactions. An ELF analysis of the reaction between nitrosoethylene and 1-vinylpyrrolidine Domingo L.R.; Perez P.; Saez, JA Article ISI SCOPUS Tetrahedron (2013)
Why Do Five-Membered Heterocyclic Compounds Sometimes Not Participate in Polar Diels-Alder Reactions? Domingo L.R.; Perez P. Article ISI SCOPUS Journal of Organic Chemistry (2013)
Intrinsic electronic reorganization energy in the electron transfer from substituted N,N-dimethylanilines to phthalimide N-oxyl radical Chamorro E.; Bessolo, J; Duque-Norena, M; Perez P. Article ISI SCOPUS Chemical Physics Letters (2012)
Origin of the synchronicity in bond formation in polar Diels-Alder reactions: an ELF analysis of the reaction between cyclopentadiene and tetracyanoethylene Perez P. Article ISI SCOPUS Organic and Biomolecular Chemistry (2012)
Oxygenation of the phenylhalocarbenes. Are they spin-allowed or spin-forbidden reactions? Corral I.; Perez P.; Tapia O.; Yanez M. Article ISI SCOPUS Journal of Molecular Modeling (2012)
Understanding the bond formation in hetero-diels-alder reactions. An ELF analysis of the reaction of nitroethylene with dimethylvinylamine Article ISI SCOPUS Current Organic Chemistry (2012)
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 Perez P. Article ISI SCOPUS RSC Advances (2012)
The nucleophilicity N index in organic chemistry Domingo L.R.; Perez P. Article ISI SCOPUS Organic and Biomolecular Chemistry (2011)
Theoretical Analysis of Substituted Diels - Alder Reagents to Determine the Polar or Non Polar Character of the Reaction Perez P.; Chamorro E. Article ISI SCOPUS Letters in Organic Chemistry (2011)
Global and local reactivity of N-heterocyclic carbenes with boron and phosphorus atoms: An analysis based on spin polarized density functional framework Perez P.; Chamorro E. Article ISI SCOPUS Journal of Molecular Structure: THEOCHEM (2010)
Understanding the mechanism of non-polar Diels-Alder reactions. A comparative ELF analysis of concerted and stepwise diradical mechanisms Domingo L.R.; Chamorro E.; Perez P. Article ISI SCOPUS Organic and Biomolecular Chemistry (2010)
A Combined Experimental and Theoretical Study of the Polar [3+2] Cycloaddition of Electrophilically Activated Carbonyl Ylides with Aldehydes and Imines Bentabed-Ababsa, G; Derdour, A; Roisnel T.; Saez, JA; Perez P.; Chamorro E.; Domingo L.R.; Mongin, F Article ISI SCOPUS JOURNAL OF ORGANIC CHEMISTRY (2009)
A condensed-to-atom nucleophilicity index. An application to the director effects on the electrophilic aromatic substitutions Perez P.; Domingo L.R.; Duque-Norena, M; Chamorro E. Article ISI SCOPUS JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM (2009)
An Analysis of the Regioselectivity of 1,3-Dipolar Cycloaddition Reactions of Benzonitrile N-Oxides Based on Global and Local Electrophilicity and Nucleophilicity Indices Domingo L.R.; Chamorro E.; Perez P. Article ISI SCOPUS EUROPEAN JOURNAL OF ORGANIC CHEMISTRY (2009)
Further relationships between theoretical and experimental models of electrophilicity and nucleophilicity Chamorro E.; Duque-Norena, M; Perez P. Article ISI SCOPUS JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM (2009)
On the Nucleophilicity of Boryllithium Compounds. A Theoretical Study Jaramillo P.; Perez P.; Fuentealba P. Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY A (2009)
The Mechanism of Double Proton Transfer in Dimers of Uracil and 2-Thiouracil-The Reaction Force Perspective Lamsabhi, AM; Mó O.; Gutiérrez-Oliva, S; Perez P.; Toro-Labbe A.; Yanez M. Article ISI SCOPUS JOURNAL OF COMPUTATIONAL CHEMISTRY (2009)
A further exploration of a nucleophilicity index based on the gas-phase ionization potentials Jaramillo P.; Domingo L.R.; Chamorro E.; Perez P. Article ISI SCOPUS JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM (2008)
An understanding of the electrophilic/nucleophilic behavior of electro-deficient 2,3-disubstituted 1,3-butadienes in polar Diels-Alder reactions. A density functional theory study Domingo L.R.; Chamorro E.; Perez P. Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY A (2008)
Chapter 9 The electrophilicity index in organic chemistry Perez P.; Aizman, A; Contreras R. Article SCOPUS Theor Comput Chem (2008)
Dual descriptors within the framework of spin-polarized density functional theory Chamorro E.; Perez P.; Duque, M; De Proft F.; Geerlings P. Article ISI SCOPUS JOURNAL OF CHEMICAL PHYSICS (2008)
A comparative analysis of the electrophilicity of organic molecules between the computed IPs and EAs and the HOMO and LUMO energies Domingo L.R.; Saez, JA; Perez P. Article ISI SCOPUS Chemical Physics Letters (2007)
A theoretical scale for pericyclic and pseudopericyclic reactions Chamorro E.; Notario R.; Santos J.C.; Perez P. Article ISI SCOPUS Chemical Physics Letters (2007)
Global and local reactivity of simple substituted nitrenes and phosphinidenes within the spin-polarized density functional theory framework Rincón, E; Perez P.; Chamorro E. Article ISI SCOPUS Chemical Physics Letters (2007)
Relationship between basicity and nucleophilicity Jaramillo P.; Perez P.; Fuentealba P. Article ISI SCOPUS JOURNAL OF PHYSICAL ORGANIC CHEMISTRY (2007)
Definition of a nucleophilicity scale Jaramillo P.; Perez P.; Contreras R.; Tiznado W.; Fuentealba P. Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY A (2006)
Electrophilicity and spin polarization of simple substituted silylenes Chamorro E.; Santos J.C.; Perez P. Article ISI SCOPUS Chemical Physics Letters (2006)
Hardness and softness kernels, and related indices in the spin polarized version of density functional theory Guerra D.; Contreras R.; Perez P.; Fuentealba P. Article ISI SCOPUS Chemical Physics Letters (2006)
Nucleophilicity scale for n- and pi-nucleophiles Jaramillo P.; Fuentealba P.; Perez P. Article ISI SCOPUS Chemical Physics Letters (2006)
Philicity indices within the spin-polarized density-functional theory framework Chamorro E.; Perez P.; De Proft F.; Geerlings P. Article ISI SCOPUS JOURNAL OF CHEMICAL PHYSICS (2006)
pi-Strain-induced electrophilicity in small cycloalkynes: A DFT analysis of the polar cycloaddition of cyclopentyne towards enol ethers Domingo L.R.; Perez P.; Contreras R. Article ISI SCOPUS EUROPEAN JOURNAL OF ORGANIC CHEMISTRY (2006)
Towards an intrinsic nucleofugality scale: The leaving group (LG) ability in CH(3)LG model system Jaramillo P.; Domingo L.R.; Perez P. Article ISI SCOPUS Chemical Physics Letters (2006)
A DFT analysis of the strain-induced regioselective[2+2]cycloaddition of benzyne possessing fused four-membered ring Domingo L.R.; Perez P.; Contreras R. Article ISI SCOPUS Letters in Organic Chemistry (2005)
Condensed-to-atoms electronic Fukui functions within the framework of spin-polarized density-functional theory Chamorro E.; Perez P. Article ISI SCOPUS JOURNAL OF CHEMICAL PHYSICS (2005)
Do substituents make any contribution to the formation of systems where the electronic effects seem to be neutralized? The case of the indigo dye formation Lamsabhi, AM; Perez P. Article ISI SCOPUS JOURNAL OF PHYSICAL ORGANIC CHEMISTRY (2005)
Effect of electron-withdrawing substituents on the electrophilicity of carbonyl carbons Contreras R.; Andres, J.; Domingo L.R.; Castillo R.; Perez P. Article ISI SCOPUS TETRAHEDRON (2005)
Empirical energy - Density relationships applied to the analysis of the basicity of strong organic superbases Chamorro E.; Sienra, R; Perez P. Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY A (2005)
Exploring two-state reactivity pathways in the cycloaddition reactions of triplet methylene Perez P.; Andres, J.; Safont, VS; Contreras R.; Tapia O. Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY A (2005)
Relationship between local electrophilicity and rate coefficients for the hydrolysis of carbenium ions Aizman, A; Contreras R.; Perez P. Article ISI SCOPUS TETRAHEDRON (2005)
A theoretical study on the regioselectivity of 1,3-dipolar cycloadditions using DFT-based reactivity indexes Aurell, MJ; Domingo L.R.; Perez P.; Contreras R. Article ISI TETRAHEDRON (2004)
On the reduction of 4-oxo-4H-benzopyran-3-carbaldehydes: Global and local electrophilicity patterns Araya-Maturana R.; Heredia-Moya, J; Escobar C.A.; Perez P. Article SCOPUS JOURNAL OF THE CHILEAN CHEMICAL SOCIETY (2004)
QUANTITATIVE REPRESENTATION OF REACTIVITY, SELECTIVITY AND SITE ACTIVATION CONCEPTS IN ORGANIC CHEMISTRY@ Perez P.; Parra-Mouchet, J Article ISI SCIELO SCOPUS JOURNAL OF THE CHILEAN CHEMICAL SOCIETY (2004)
Reactivity of the carbon-carbon double bond towards nucleophilic additions. A DFT analysis Domingo L.R.; Perez P.; Contreras R. Article ISI SCOPUS TETRAHEDRON (2004)
Relationship between superelectrophilicity and the electrophilicity index of isolated species Perez P. Article ISI SCOPUS JOURNAL OF ORGANIC CHEMISTRY (2004)
Electronic contributions to the sigma(p) parameter of the Hammett equation Domingo L.R.; Perez P.; Contreras R. Article ISI SCOPUS JOURNAL OF ORGANIC CHEMISTRY (2003)
Global and local electrophilicity patterns of diazonium ions and their reactivity toward pi-nucleophiles Perez P. Article ISI SCOPUS JOURNAL OF ORGANIC CHEMISTRY (2003)
Origin of the synchronicity on the transition structures of polar Diels-Alder reactions. Are these reactions [4+2] processes? Domingo L.R.; Aurell, MJ; Perez P.; Contreras R. Article ISI SCOPUS JOURNAL OF ORGANIC CHEMISTRY (2003)
Quantitative characterization of the global electrophilicity pattern of some reagents involved in 1,3-dipolar cycloaddition reactions Perez P.; Domingo L.R.; Aurell, AJ; Contreras R. Article ISI SCOPUS TETRAHEDRON (2003)
Theoretical evaluation of the global and local electrophilicity patterns of singlet carbenes Perez P. Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY A (2003)
Comparison between experimental and theoretical scales of electrophilicity based on reactivity indexes Perez P.; Aizman, A; Contreras R. Article ISI JOURNAL OF PHYSICAL CHEMISTRY A (2002)
Comparison between experimental and theoretical scales of electrophilicity in benzhydryl cations Perez P.; Toro-Labbe A.; Aizman, A; Contreras R. Article ISI SCOPUS JOURNAL OF ORGANIC CHEMISTRY (2002)
Density functional theory study for the cycloaddition of 1,3-butadienes with dimethyl acetylenedicarboxylate. Polar stepwise vs concerted mechanisms Domingo L.R.; Arno, M; Contreras R.; Perez P. Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY A (2002)
Quantitative characterization of the global electrophilicity power of common diene/dienophile pairs in Diels-Alder reactions Domingo L.R.; Aurell, MJ; Perez P.; Contreras R. Article ISI SCOPUS TETRAHEDRON (2002)
Quantitative characterization of the local electrophilicity of organic molecules. Understanding the regioselectivity on Diels-Alder reactions Domingo L.R.; Aurell, MJ; Perez P.; Contreras R. Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY A (2002)
Spin-philicity and spin-donicity as auxiliary concepts to quantify spin-catalysis phenomena Perez P.; Andres, J.; Safont, VS; Tapia O.; Contreras R. Article ISI JOURNAL OF PHYSICAL CHEMISTRY A (2002)
Theoretical study of the trans-N(2)H(2) -> cis-N(2)H(2) and F(2)S(2) -> FSSF reactions in gas and solution phases. Chattaraj P.K.; Perez P.; Zevallos, J; Toro-Labbe A. Article ISI JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM (2002)
Ab initio SCF and DFT studies on solvent effects on intramolecular rearrangement reactions Chattaraj P.K.; Perez P.; Zevallos, J; Toro-Labbe A. Article ISI JOURNAL OF PHYSICAL CHEMISTRY A (2001)
Solvent effects on electrophilicity Perez P.; Toro-Labbe A.; Contreras R. Article ISI SCOPUS JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2001)
Theoretical analysis of some substituted imine-enamine tautomerism Perez P.; Toro-Labbe A. Article ISI THEORETICAL CHEMISTRY ACCOUNTS (2001)
Theoretical study of the effect of the substituents on the gas phase acidity of alcohols and silanols Perez P. Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY A (2001)
A semiquantitative description of electrostatics and polarization substituent effects: Gas-phase acid-base equilibria as test cases Perez P.; Toro-Labbe A.; Contreras R. Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY A (2000)
Characterization of keto-enol tautomerism of acetyl derivatives from the analysis of energy, chemical potential, and hardness Perez P.; Toro-Labbe A. Article ISI JOURNAL OF PHYSICAL CHEMISTRY A (2000)
Empirical energy-density relationships for the analysis of substituent effects in chemical reactivity Perez P.; Simon-Manso, Y; Aizman, A; Fuentealba P.; Contreras R. Article ISI SCOPUS JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2000)
Global and local analysis of the gas-phase acidity of haloacetic acids Perez P.; Toro-Labbe A.; Contreras R. Article ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY A (2000)
On the condensed Fukui function Fuentealba P.; Perez P.; Contreras R. Article ISI SCOPUS JOURNAL OF CHEMICAL PHYSICS (2000)
A Direct Evaluation of Regional Fukui Functions in Molecules. Article Chemical Physics Letters (1999)
Basicity and Solvent Effects on Hydrogen Bonding in NR3···HCOOH (R = H, CH3) Model Systems Article INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (1999)
HSAB Analysis of Charge Transfer in the Gas Phase Acid-Base Equilibria of Alkyl- Substituted Alcohols Article JOURNAL OF PHYSICAL CHEMISTRY A (1999)
Non-Local (Pair Site) Reactivity from Second Order Static Density Response Function: Gas and Solution Phase Reactivity of the Acetaldehyde Enolate as a Test Case Article JOURNAL OF PHYSICAL CHEMISTRY A (1999)
Sites of Protonation of N2-substituted N1, N1-Dimethyl-N2-Formamidines from Regional Reactivity Indices Article Journal of Molecular Structure (Theochem) (1999)
A Theoretical Analysis of the Gas Phase Protonation of Hydroxylamine, Methyl-derivatives and Aliphatic Amino Acids. Article Chemical Physics Letters (1998)
Hydrogen Bonding and Dissociation Effects on the Gas Phase Proton Transfer Reactions of Ozone Article THEORETICAL CHEMISTRY ACCOUNTS (1998)
Theory of Non-local (Pair Site) Reactivity from Model Static-Density Response Functions Article THEORETICAL CHEMISTRY ACCOUNTS (1998)
Relationship between Solvation Energy, Chemical Potential and Hardness Variations Article Journal of Molecular Structure (Theochem) (1997)
Relationship between Electronic Chemical Potential and Proton Transfer Barriers. Article Chemical Physics Letters (1997)
Analysis of Gas Phase Proton Transfer Using Density Functional Theory. The H2O···HX (X= F, Cl, OH) System Article Chemical Physics Letters (1996)
Electrostatic and Non Electrostatic Contributions to Hydrogen Bonding and Proton Transfer in Solution Phase Article JOURNAL OF PHYSICAL CHEMISTRY (1996)
Solvation Energies from the Linear Response Function of Density Functional Theory Article Chemical Physics Letters (1996)
A Density Functional Theory Formulation of the Reaction Field Model of Solvent Effects Article INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (1995)


Bonding evolution theory (BET): understanding Diels-Alder and [3+2] cycloaddition reactions. Patricia Pérez López; Chamorro, Eduardo Enrique Proyecto Caracterización de mecanismos de reacción de cicloadiciones de Diels-Alder y [3+2] utilizando metodología de análisis topológico. Elección de Modelos. Cálculos teóricos. Discusión de resultados. Escritura de manuscritos. (2022)


A comparison between theoretical and experimental models of electrophilicity and nucleophilicity Chamorro E.; Duque-Norena, M; Perez P. Review ISI SCOPUS JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM (2009)
Solvent Effects on Global Reactivity Properties for Neutral and Charged Systems Using the Sequential Monte Carlo Quantum Mechanics Model Jaramillo P.; Perez P.; Fuentealba P.; Canuto, S; Coutinho, K Review ISI SCOPUS JOURNAL OF PHYSICAL CHEMISTRY B (2009)
Understanding the reactivity of captodative ethylenes in polar cycloaddition reactions. A theoretical study Domingo L.R.; Chamorro E.; Perez P. Review ISI SCOPUS JOURNAL OF ORGANIC CHEMISTRY (2008)
Universal mathematical identities in density functional theory: Results from three different spin-resolved representations Perez P.; Chamorro E.; Ayers P.W. Review ISI SCOPUS JOURNAL OF CHEMICAL PHYSICS (2008)
Understanding the chemical reactivity of phenylhalocarbene systems: an analysis based on the spin-polarized density functional theory Guerra D.; Andres, J.; Chamorro E.; Perez P. Review ISI SCOPUS THEORETICAL CHEMISTRY ACCOUNTS (2007)