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Ivo Cacelli

Showing results (11-20 of 49) with videos related to

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Journal of the American Chemical Society|October 28, 2004
Computer simulation of solid and liquid benzene with an atomistic interaction potential derived from ab initio calculationsIvo Cacelli, Giorgio Cinacchi, Giacomo Prampolini, et al.
The Journal of Physical Chemistry. B|April 18, 2014
Electron transport properties of diarylethene photoswitches by a simplified NEGF-DFT approachVincenzo Barone, Ivo Cacelli, Alessandro Ferretti, et al.
Journal of Chemical Information and Modeling|April 6, 2005
Theoretical prediction of the Abraham hydrogen bond acidity and basicity factors from a reaction field methodIvo Cacelli, Silvio Campanile, Alessandro Giolitti, et al.
The Journal of Chemical Physics|May 10, 2008
Toward an effective yet reliable many-body computation of magnetic couplings in bisnitronyl nitroxide biradicalsVincenzo Barone, Ivo Cacelli, Alessandro Ferretti, et al.
Annals of the New York Academy of Sciences|February 21, 2004
Analysis of electron transfer in substituted biphenylmethaneIvo Cacelli, Alessandro Ferretti, Michele Girlanda, et al.
Biomimetics (Basel, Switzerland)|May 21, 2019
Noncovalent Interactions in the Catechol DimerVincenzo Barone, Ivo Cacelli, Alessandro Ferretti, et al.
Journal of Chemical Theory and Computation|November 18, 2015
BALOO: A Fast and Versatile Code for Accurate Multireference Variational/Perturbative CalculationsIvo Cacelli, Alessandro Ferretti, Giacomo Prampolini, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|December 7, 2005
A two-state computational investigation of methane C--H and ethane C--C oxidative addition to [CpM(PH3)]n+ (M = Co, Rh, Ir; n = 0, 1)Alban Petit, Philippe Richard, Ivo Cacelli, et al.
Physical Chemistry Chemical Physics : PCCP|June 8, 2013
Transport properties of binuclear metal complexes of the VIII group using a simplified NEGF-DFT approachVincenzo Barone, Ivo Cacelli, Alessandro Ferretti, et al.
Physical Chemistry Chemical Physics : PCCP|May 15, 2009
Modified virtual orbitals for CI calculations of energy splitting in organic diradicalsVincenzo Barone, Ivo Cacelli, Alessandro Ferretti, et al.
Pageof 5

Showing results (11-20 of 49) with videos related to

Sort By:
Pageof 5
Journal of the American Chemical Society|October 28, 2004
Computer simulation of solid and liquid benzene with an atomistic interaction potential derived from ab initio calculationsIvo Cacelli, Giorgio Cinacchi, Giacomo Prampolini, et al.
The Journal of Physical Chemistry. B|April 18, 2014
Electron transport properties of diarylethene photoswitches by a simplified NEGF-DFT approachVincenzo Barone, Ivo Cacelli, Alessandro Ferretti, et al.
Journal of Chemical Information and Modeling|April 6, 2005
Theoretical prediction of the Abraham hydrogen bond acidity and basicity factors from a reaction field methodIvo Cacelli, Silvio Campanile, Alessandro Giolitti, et al.
The Journal of Chemical Physics|May 10, 2008
Toward an effective yet reliable many-body computation of magnetic couplings in bisnitronyl nitroxide biradicalsVincenzo Barone, Ivo Cacelli, Alessandro Ferretti, et al.
Annals of the New York Academy of Sciences|February 21, 2004
Analysis of electron transfer in substituted biphenylmethaneIvo Cacelli, Alessandro Ferretti, Michele Girlanda, et al.
Biomimetics (Basel, Switzerland)|May 21, 2019
Noncovalent Interactions in the Catechol DimerVincenzo Barone, Ivo Cacelli, Alessandro Ferretti, et al.
Journal of Chemical Theory and Computation|November 18, 2015
BALOO: A Fast and Versatile Code for Accurate Multireference Variational/Perturbative CalculationsIvo Cacelli, Alessandro Ferretti, Giacomo Prampolini, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|December 7, 2005
A two-state computational investigation of methane C--H and ethane C--C oxidative addition to [CpM(PH3)]n+ (M = Co, Rh, Ir; n = 0, 1)Alban Petit, Philippe Richard, Ivo Cacelli, et al.
Physical Chemistry Chemical Physics : PCCP|June 8, 2013
Transport properties of binuclear metal complexes of the VIII group using a simplified NEGF-DFT approachVincenzo Barone, Ivo Cacelli, Alessandro Ferretti, et al.
Physical Chemistry Chemical Physics : PCCP|May 15, 2009
Modified virtual orbitals for CI calculations of energy splitting in organic diradicalsVincenzo Barone, Ivo Cacelli, Alessandro Ferretti, et al.
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