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Physical Chemistry Chemical Physics : PCCP
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May 11, 2016
A through-space description of substituent effects leads to inaccurate molecular electrostatic potentials and cationπ interactions in extended aromatic systems
Enrique 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 analysis
Jesús 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 Systems
Enrique M Cabaleiro-Lago, Jesús Rodríguez-Otero
Physical Chemistry Chemical Physics : PCCP
|
September 25, 2020
Curvature and size effects hinder halogen bonds with extended π systems
Enrique 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>, 2746
Enrique 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 methods
Enrique 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 study
Daniela Josa, Jesús Rodríguez-Otero, Enrique M Cabaleiro-Lago
Physical Chemistry Chemical Physics : PCCP
|
October 26, 2011
A DFT study of substituent effects in corannulene dimers
Daniela 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 interactions
Enrique M Cabaleiro-Lago, Jesús Rodríguez-Otero, Saulo A Vázquez
The Journal of Chemical Physics
|
December 14, 2011
Effect of microhydration on the guanidinium···benzene interaction
Enrique M Cabaleiro-Lago, Jesús Rodríguez-Otero, Ángeles Peña-Gallego
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of 6
Search research articles
Search
Showing results (1-10 of 55) with videos related to
Sort By:
Page
of 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 systems
Enrique 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 analysis
Jesús 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 Systems
Enrique M Cabaleiro-Lago, Jesús Rodríguez-Otero
Physical Chemistry Chemical Physics : PCCP
|
September 25, 2020
Curvature and size effects hinder halogen bonds with extended π systems
Enrique 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>, 2746
Enrique 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 methods
Enrique 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 study
Daniela Josa, Jesús Rodríguez-Otero, Enrique M Cabaleiro-Lago
Physical Chemistry Chemical Physics : PCCP
|
October 26, 2011
A DFT study of substituent effects in corannulene dimers
Daniela 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 interactions
Enrique M Cabaleiro-Lago, Jesús Rodríguez-Otero, Saulo A Vázquez
The Journal of Chemical Physics
|
December 14, 2011
Effect of microhydration on the guanidinium···benzene interaction
Enrique M Cabaleiro-Lago, Jesús Rodríguez-Otero, Ángeles Peña-Gallego
Page
of 6