Alejandro Toro-Labbe

Papers authored by Alejandro Toro-Labbe

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2007 Christophe Morell, André Grand, Soledad Gutiérrez-Oliva, Alejandro Toro-Labbé

Chapter 7 Using the reactivity-selectivity descriptor Δ f(r) in organic chemistry

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Peter Politzer, Jane S. Murray, Pat Lane, Alejandro Toro-Labbé

A noteworthy feature of bond dissociation/formation reactions

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Elizabeth Rinc?n, Elizabeth Rincón, Manuel Yáñez

, Manuel Y??ez, Alejandro Toro-Labbé

, Otilia M?, Otilia Mó

Effect of Ni(II), Cu(II) and Zn(II) association on the keto-enol tautomerism of thymine in the gas phase

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Patricio Flores, Soledad Gutiérrez-Oliva, Bárbara Herrera, Eduardo Silva, Alejandro Toro-Labbé

, George Maroulis, Theodore E. Simos

The Electronic Flux in Chemical Reactions. Insights on the Mechanism of the Maillard Reaction

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Alejandro Toro-Labbé

Preface

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2006 José Luis Moncada, Alejandro Toro-Labbé

A theoretical study of conducting oligomeric systems: The conceptual DFT perspective

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Bárbara Herrera, Felipe Valencia, Aldo H. Romero, Miguel Kiwi, Ricardo Ramírez, Alejandro Toro-Labbé

Cubane oligomers: A density functional theory study

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Elizabeth Rincón, Pablo Jaque, Alejandro Toro-Labbé

Reaction Force Analysis of the Effect of Mg(II) on the 1,3 Intramolecular Hydrogen Transfer in Thymine

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Christophe Morell, André Grand, Alejandro Toro-Labbé

Theoretical support for using the Df(r) descriptor

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Miquel Torrent-Sucarrat

, Miquel Solà

, Alejandro Toro-Labbé

Gas-Phase Structures, Rotational Barriers, and Conformational Properties of Hydroxyl and Mercapto Derivatives of Cyclohexa-2,5-dienone and Cyclohexa-2,5-dienthione

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Soledad Gutiérrez-Oliva, Laurent Joubert, Carlo Adamo, Felipe A. Bulat, José H. Zagal, Alejandro Toro-Labbé

Bridging the Gap between the Topological and Orbital Description of Hydrogen Bonding: The Case of the Formic Acid Dimer and Its Sulfur Derivatives

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Albert Poater, Miquel Duran, Pablo Jaque, Alejandro Toro-Labbé

, Miquel Solà

Molecular Structure and Bonding of Copper Cluster Monocarbonyls CunCO (n= 1−9)

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Jorge Ricardo Letelier, Jorge Ricardo, Alejandro Toro-Labbé

The Linear Combination of Vibrational Wave Functions (LCVW) Method in a Morse–Gaussian Double Well Molecular Potential

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Paulina Pavez

, Alejandro Toro-Labbé

, Maria Victoria Encinas

Photophysics and Photochemistry of Nalidixic Acid

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2005 F. R. Díaz, M. A. del Valle, C. Núñez, A. Godoy, J. L. Mondaca, A. Toro-Labbé

, J. C. Bernède

Synthesis, characterization, electropolymerization, and theoretical study of 2,3-di-(2-thienyl)quinoxaline

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Peter Politzer, Alejandro Toro-Labbé

, Soledad Gutiérrez-Oliva, Bárbara Herrera, Pablo Jaque, Monica C. Concha, Jane S. Murray

The reaction force: Three key points along an intrinsic reaction coordinate

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Alejandro Toro-Labbé

, Pablo Jaque, Jane S. Murray, Peter Politzer

Connection between the average local ionization energy and the Fukui function

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Soledad Gutiérrez-Oliva, Bárbara Herrera, Alejandro Toro-Labbé

, Henry Chermette

On the Mechanism of Hydrogen Transfer in the HSCH(O) ⇌ (S)CHOH and HSNO ⇌ SNOH Reactions

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F. Valencia, A. H. Romero, M. Kiwi, R. Ramírez, A. Toro-Labbe

Polycubanes linked withC2,N2, NO, and NS: From insulating to metallic behavior

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Christophe Morell, André Grand, Alejandro Toro-Labbé

New Dual Descriptor for Chemical Reactivity

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Papers authored by Alejandro Toro-Labbe