EV
Académico · Postgrado UdeC
ESTEBAN VÖHRINGER-MARTÍNEZ
Doctor en Ciencias Naturales (Dr. rer. nat.)
Universität Göttingen
evohringer@udec.cl-
Communication: Photoinduced carbon dioxide binding with surface-functionalized silicon quantum dots
JOURNAL OF CHEMICAL PHYSICS 2018 ARTÍCULO WOS - SCOPUS AUTOR
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Information-Theoretic Approaches to Atoms-in-Molecules: Hirshfeld Family of Partitioning Schemes
JOURNAL OF PHYSICAL CHEMISTRY A 2018 ARTÍCULO WOS - SCOPUS AUTOR
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Partition coefficients of methylated DNA bases obtained from free energy calculations with molecular electron density derived atomic charges
JOURNAL OF COMPUTATIONAL CHEMISTRY 2018 ARTÍCULO WOS - SCOPUS AUTOR
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A systematic electronic structure study of the O-O bond dissociation energy of hydrogen peroxide and the electron affinity of the hydroxyl radical
THEORETICAL CHEMISTRY ACCOUNTS 2018 ARTÍCULO WOS - SCOPUS AUTOR
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Hydration Free Energies in the FreeSolv Database Calculated with Polarized Iterative Hirshfeld Charges
JOURNAL OF CHEMICAL INFORMATION AND MODELING 2018 ARTÍCULO WOS - SCOPUS AUTOR
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Catalytic Reaction Mechanism in Native and Mutant Catechol-O-methyltransferase from the Adaptive String Method and Mean Reaction Force Analysis
JOURNAL OF PHYSICAL CHEMISTRY B 2018 ARTÍCULO WOS - SCOPUS AUTOR
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Global and local reactivity descriptors based on quadratic and linear energy models for ,-unsaturated organic compounds
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 2018 ARTÍCULO WOS - SCOPUS AUTOR
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Extending the halogen-bonded supramolecular synthon concept to 1,3,4-oxadiazole derivatives
CRYSTENGCOMM 2016 ARTÍCULO WOS - SCOPUS COAUTOR
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Reaction electronic flux and its role in DNA intramolecular proton transfers
JOURNAL OF MOLECULAR MODELING 2016 ARTÍCULO WOS - SCOPUS AUTOR
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An explicit approach to conceptual density functional theory descriptors of arbitrary order
CHEMICAL PHYSICS LETTERS 2016 ARTÍCULO WOS - SCOPUS AUTOR
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The effect of the environment on the methyl transfer reaction mechanism between trimethylsulfonium and phenolate
PHYSICAL CHEMISTRY CHEMICAL PHYSICS 2016 ARTÍCULO WOS - SCOPUS AUTOR
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The local response of global descriptors
THEORETICAL CHEMISTRY ACCOUNTS 2016 ARTÍCULO WOS - SCOPUS AUTOR
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Conformational Substrate Selection Contributes to the Enzymatic Catalytic Reaction Mechanism of Pin1
JOURNAL OF PHYSICAL CHEMISTRY B 2016 ARTÍCULO WOS - SCOPUS AUTOR
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Charge separation and isolation in strong water droplet impacts
PHYSICAL CHEMISTRY CHEMICAL PHYSICS 2015 ARTÍCULO WOS - SCOPUS AUTOR
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A consistent S-Adenosylmethionine force field improved by dynamic Hirshfeld-I atomic charges for biomolecular simulation
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN 2015 ARTÍCULO WOS - SCOPUS AUTOR
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The Influence of Ser-154, Cys-113, and the Phosphorylated Threonine Residue on the Catalytic Reaction Mechanism of Pin1
JOURNAL OF PHYSICAL CHEMISTRY B 2014 ARTÍCULO WOS - SCOPUS AUTOR
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Hydrogen bond dynamics of superheated water and methanol by ultrafast IR-Pump and EUV-photoelectron Probe spectroscopy
PHYSICAL CHEMISTRY CHEMICAL PHYSICS 2014 ARTÍCULO WOS - SCOPUS AUTOR -
On the electron affinity of cytosine in bulk water and at hydrophobic aqueous interface
JOURNAL OF MOLECULAR MODELING 2014 ARTÍCULO WOS - SCOPUS AUTOR
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Understanding the Physics and Chemistry of Reaction Mechanisms from Atomic Contributions: A Reaction Force Perspective
JOURNAL OF PHYSICAL CHEMISTRY A 2012 ARTÍCULO WOS - SCOPUS AUTOR -
How Does Pin1 Catalyze the Cis-Trans Propyl Peptide Bond Isomerization? A QM/MM and Mean Reaction Force Study
THE JOURNAL OF PHYSICAL CHEMISTRY 2012 ARTÍCULO AUTOR