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Physical Chemistry Chemical Physics : PCCP
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January 13, 2021
On the role of water in the hydrogen bond network in DESs: an <i>ab initio</i> molecular dynamics and quantum mechanical study on the urea-betaine system
Renato Contreras, Lucas Lodeiro, Nicolás Rozas-Castro, et al.
Molecules (Basel, Switzerland)
|
November 22, 2012
On the catalytic effect of water in the intramolecular Diels–Alder reaction of quinone systems: a theoretical study
Jorge Soto-Delgado, Arie Aizman, Renato Contreras, et al.
Organic & Biomolecular Chemistry
|
November 12, 2019
Theoretical insights into the E1cB/E2 mechanistic dichotomy of elimination reactions
Daniela E Ortega, Rodrigo Ormazábal-Toledo, Renato Contreras, et al.
Organic & Biomolecular Chemistry
|
February 21, 2013
Specific nucleophile-electrophile interactions in nucleophilic aromatic substitutions
Rodrigo Ormazábal-Toledo, Renato Contreras, Ricardo A Tapia, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
August 11, 2016
Gutmann's Donor Numbers Correctly Assess the Effect of the Solvent on the Kinetics of SN Ar Reactions in Ionic Liquids
Jazmín Alarcón-Espósito, Renato Contreras, Ricardo A Tapia, et al.
The Journal of Physical Chemistry. A
|
July 13, 2006
Exploring two-state reactivity pathways in the cycloaddition reactions of triplet methylene
Patricia Pérez, J Andrés, V S Safont, et al.
Biophysical Journal
|
November 7, 2006
A computational study of the protein-ligand interactions in CDK2 inhibitors: using quantum mechanics/molecular mechanics interaction energy as a predictor of the biological activity
Jans H Alzate-Morales, Renato Contreras, Alejandro Soriano, et al.
Phytochemistry
|
August 25, 2009
An unusual halogenated meroditerpenoid from Stypopodium flabelliforme: studies by NMR spectroscopic and computational methods
Carlos Areche, Aurelio San-Martín, Juana Rovirosa, et al.
Frontiers in Chemistry
|
November 9, 2018
Activation of Electrophile/Nucleophile Pair by a Nucleophilic and Electrophilic Solvation in a S<sub>N</sub>Ar Reaction
Bruno Sánchez, Cristian Calderón, Ricardo A Tapia, et al.
The Journal of Physical Chemistry. B
|
March 13, 2014
Regional electrophilic and nucleophilic Fukui functions efficiently highlight the Lewis acidic/basic regions in ionic liquids
Andrea Cerda-Monje, Rodrigo Ormazábal-Toledo, Carlos Cárdenas, et al.
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of 4
Search research articles
Search
Showing results (21-30 of 38) with videos related to
Sort By:
Page
of 4
Physical Chemistry Chemical Physics : PCCP
|
January 13, 2021
On the role of water in the hydrogen bond network in DESs: an <i>ab initio</i> molecular dynamics and quantum mechanical study on the urea-betaine system
Renato Contreras, Lucas Lodeiro, Nicolás Rozas-Castro, et al.
Molecules (Basel, Switzerland)
|
November 22, 2012
On the catalytic effect of water in the intramolecular Diels–Alder reaction of quinone systems: a theoretical study
Jorge Soto-Delgado, Arie Aizman, Renato Contreras, et al.
Organic & Biomolecular Chemistry
|
November 12, 2019
Theoretical insights into the E1cB/E2 mechanistic dichotomy of elimination reactions
Daniela E Ortega, Rodrigo Ormazábal-Toledo, Renato Contreras, et al.
Organic & Biomolecular Chemistry
|
February 21, 2013
Specific nucleophile-electrophile interactions in nucleophilic aromatic substitutions
Rodrigo Ormazábal-Toledo, Renato Contreras, Ricardo A Tapia, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
August 11, 2016
Gutmann's Donor Numbers Correctly Assess the Effect of the Solvent on the Kinetics of SN Ar Reactions in Ionic Liquids
Jazmín Alarcón-Espósito, Renato Contreras, Ricardo A Tapia, et al.
The Journal of Physical Chemistry. A
|
July 13, 2006
Exploring two-state reactivity pathways in the cycloaddition reactions of triplet methylene
Patricia Pérez, J Andrés, V S Safont, et al.
Biophysical Journal
|
November 7, 2006
A computational study of the protein-ligand interactions in CDK2 inhibitors: using quantum mechanics/molecular mechanics interaction energy as a predictor of the biological activity
Jans H Alzate-Morales, Renato Contreras, Alejandro Soriano, et al.
Phytochemistry
|
August 25, 2009
An unusual halogenated meroditerpenoid from Stypopodium flabelliforme: studies by NMR spectroscopic and computational methods
Carlos Areche, Aurelio San-Martín, Juana Rovirosa, et al.
Frontiers in Chemistry
|
November 9, 2018
Activation of Electrophile/Nucleophile Pair by a Nucleophilic and Electrophilic Solvation in a S<sub>N</sub>Ar Reaction
Bruno Sánchez, Cristian Calderón, Ricardo A Tapia, et al.
The Journal of Physical Chemistry. B
|
March 13, 2014
Regional electrophilic and nucleophilic Fukui functions efficiently highlight the Lewis acidic/basic regions in ionic liquids
Andrea Cerda-Monje, Rodrigo Ormazábal-Toledo, Carlos Cárdenas, et al.
Page
of 4