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Enrique M Cabaleiro-Lago

Showing results (1-10 of 55) with videos related to

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Physical Chemistry Chemical Physics : PCCP|May 11, 2016
A through-space description of substituent effects leads to inaccurate molecular electrostatic potentials and cationπ interactions in extended aromatic systemsEnrique M Cabaleiro-Lago, Jesús Rodríguez-Otero
Chemistry (Weinheim an Der Bergstrasse, Germany)|April 17, 2003
Criteria for the elucidation of the pseudopericyclic character of the cyclization of (Z)-1,2,4,6-heptatetraene and its heterosubstituted analogues: magnetic properties and natural bond orbital analysisJesús Rodríguez-Otero, Enrique M Cabaleiro-Lago
ACS Omega|August 29, 2019
On the Nature of σ-σ, σ-π, and π-π Stacking in Extended SystemsEnrique M Cabaleiro-Lago, Jesús Rodríguez-Otero
Physical Chemistry Chemical Physics : PCCP|September 25, 2020
Curvature and size effects hinder halogen bonds with extended π systemsEnrique M Cabaleiro-Lago, Jesús Rodríguez-Otero
Chemical Science|August 10, 2018
Comment on "Theoretical studies on a carbonaceous molecular bearing: association thermodynamics and dual-mode rolling dynamics" by H. Isobe, K. Nakamura, S. Hitosugi, S. Sato, H. Tokoyama, H. Yamakado, K. Ohno and H. Kono, <i>Chem. Sci.</i>, 2015, <b>6</b>, 2746Enrique M Cabaleiro-Lago, Jesús Rodríguez-Otero, Adrià Gil
Journal of Computational Chemistry|October 28, 2017
Dissecting the concave-convex π-π interaction in corannulene and sumanene dimers: SAPT(DFT) analysis and performance of DFT dispersion-corrected methodsEnrique M Cabaleiro-Lago, Berta Fernández, Jesús Rodríguez-Otero
Physical Chemistry Chemical Physics : PCCP|March 26, 2015
Fullerene recognition with molecular tweezers made up of efficient buckybowls: a dispersion-corrected DFT studyDaniela Josa, Jesús Rodríguez-Otero, Enrique M Cabaleiro-Lago
Physical Chemistry Chemical Physics : PCCP|October 26, 2011
A DFT study of substituent effects in corannulene dimersDaniela Josa, Jesús Rodríguez Otero, Enrique M Cabaleiro Lago
Physical Chemistry Chemical Physics : PCCP|April 5, 2022
Electrostatic penetration effects stand at the heart of aromatic π interactionsEnrique M Cabaleiro-Lago, Jesús Rodríguez-Otero, Saulo A Vázquez
The Journal of Chemical Physics|December 14, 2011
Effect of microhydration on the guanidinium···benzene interactionEnrique M Cabaleiro-Lago, Jesús Rodríguez-Otero, Ángeles Peña-Gallego
Pageof 6

Showing results (1-10 of 55) with videos related to

Sort By:
Pageof 6
Physical Chemistry Chemical Physics : PCCP|May 11, 2016
A through-space description of substituent effects leads to inaccurate molecular electrostatic potentials and cationπ interactions in extended aromatic systemsEnrique M Cabaleiro-Lago, Jesús Rodríguez-Otero
Chemistry (Weinheim an Der Bergstrasse, Germany)|April 17, 2003
Criteria for the elucidation of the pseudopericyclic character of the cyclization of (Z)-1,2,4,6-heptatetraene and its heterosubstituted analogues: magnetic properties and natural bond orbital analysisJesús Rodríguez-Otero, Enrique M Cabaleiro-Lago
ACS Omega|August 29, 2019
On the Nature of σ-σ, σ-π, and π-π Stacking in Extended SystemsEnrique M Cabaleiro-Lago, Jesús Rodríguez-Otero
Physical Chemistry Chemical Physics : PCCP|September 25, 2020
Curvature and size effects hinder halogen bonds with extended π systemsEnrique M Cabaleiro-Lago, Jesús Rodríguez-Otero
Chemical Science|August 10, 2018
Comment on "Theoretical studies on a carbonaceous molecular bearing: association thermodynamics and dual-mode rolling dynamics" by H. Isobe, K. Nakamura, S. Hitosugi, S. Sato, H. Tokoyama, H. Yamakado, K. Ohno and H. Kono, <i>Chem. Sci.</i>, 2015, <b>6</b>, 2746Enrique M Cabaleiro-Lago, Jesús Rodríguez-Otero, Adrià Gil
Journal of Computational Chemistry|October 28, 2017
Dissecting the concave-convex π-π interaction in corannulene and sumanene dimers: SAPT(DFT) analysis and performance of DFT dispersion-corrected methodsEnrique M Cabaleiro-Lago, Berta Fernández, Jesús Rodríguez-Otero
Physical Chemistry Chemical Physics : PCCP|March 26, 2015
Fullerene recognition with molecular tweezers made up of efficient buckybowls: a dispersion-corrected DFT studyDaniela Josa, Jesús Rodríguez-Otero, Enrique M Cabaleiro-Lago
Physical Chemistry Chemical Physics : PCCP|October 26, 2011
A DFT study of substituent effects in corannulene dimersDaniela Josa, Jesús Rodríguez Otero, Enrique M Cabaleiro Lago
Physical Chemistry Chemical Physics : PCCP|April 5, 2022
Electrostatic penetration effects stand at the heart of aromatic π interactionsEnrique M Cabaleiro-Lago, Jesús Rodríguez-Otero, Saulo A Vázquez
The Journal of Chemical Physics|December 14, 2011
Effect of microhydration on the guanidinium···benzene interactionEnrique M Cabaleiro-Lago, Jesús Rodríguez-Otero, Ángeles Peña-Gallego
Pageof 6