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Ivo Cacelli

Showing results (31-40 of 49) with videos related to

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Physical Chemistry Chemical Physics : PCCP|June 11, 2011
Complementary and partially complementary DNA duplexes tethered to a functionalized substrate: a molecular dynamics approach to biosensingSusanna Monti, Ivo Cacelli, Alessandro Ferretti, et al.
Physical Chemistry Chemical Physics : PCCP|February 1, 2011
Singlet-triplet energy gap of a diarylnitroxide diradical by an accurate many-body perturbative approachVincenzo Barone, Ivo Cacelli, Alessandro Ferretti, et al.
Journal of Chemical Theory and Computation|November 25, 2015
An Integrated Protocol for the Accurate Calculation of Magnetic Interactions in Organic MagnetsVincenzo Barone, Ivo Cacelli, Alessandro Ferretti, et al.
Physical Chemistry Chemical Physics : PCCP|April 10, 2010
Parameterization and validation of an accurate force-field for the simulation of alkylamine functionalized silicon (111) surfacesVincenzo Barone, Ivo Cacelli, Alessandro Ferretti, et al.
Journal of Chemical Theory and Computation|November 27, 2015
Chemical Detail Force Fields for Mesogenic MoleculesIvo Cacelli, Antonella Cimoli, Luca De Gaetani, et al.
Journal of Chemical Theory and Computation|November 19, 2015
Computational Screening of Weak Hydrogen Bond Networks: Predicting Stable Structures for Difluoromethane OligomersGiacomo Prampolini, Laura Carbonaro, Gang Feng, et al.
Journal of Chemical Theory and Computation|November 22, 2015
Structure-Properties Relationships in Triplet Ground State Organic Diradicals: A Computational StudyVincenzo Barone, Corentin Boilleau, Ivo Cacelli, et al.
The Journal of Physical Chemistry. A|August 29, 2009
Magnetic interactions in phenyl-bridged nitroxide diradicals: conformational effects by multireference and broken symmetry DFT approachesVincenzo Barone, Ivo Cacelli, Paola Cimino, et al.
Chemical Communications (Cambridge, England)|November 13, 2013
Oligomers based on weak hydrogen bond networks: a rotational study of the tetramer of difluoromethaneGang Feng, Luca Evangelisti, Ivo Cacelli, et al.
Journal of Chemical Theory and Computation|October 7, 2016
Systematic and Automated Development of Quantum Mechanically Derived Force Fields: The Challenging Case of Halogenated HydrocarbonsGiacomo Prampolini, Marco Campetella, Nicola De Mitri, et al.
Pageof 5

Showing results (31-40 of 49) with videos related to

Sort By:
Pageof 5
Physical Chemistry Chemical Physics : PCCP|June 11, 2011
Complementary and partially complementary DNA duplexes tethered to a functionalized substrate: a molecular dynamics approach to biosensingSusanna Monti, Ivo Cacelli, Alessandro Ferretti, et al.
Physical Chemistry Chemical Physics : PCCP|February 1, 2011
Singlet-triplet energy gap of a diarylnitroxide diradical by an accurate many-body perturbative approachVincenzo Barone, Ivo Cacelli, Alessandro Ferretti, et al.
Journal of Chemical Theory and Computation|November 25, 2015
An Integrated Protocol for the Accurate Calculation of Magnetic Interactions in Organic MagnetsVincenzo Barone, Ivo Cacelli, Alessandro Ferretti, et al.
Physical Chemistry Chemical Physics : PCCP|April 10, 2010
Parameterization and validation of an accurate force-field for the simulation of alkylamine functionalized silicon (111) surfacesVincenzo Barone, Ivo Cacelli, Alessandro Ferretti, et al.
Journal of Chemical Theory and Computation|November 27, 2015
Chemical Detail Force Fields for Mesogenic MoleculesIvo Cacelli, Antonella Cimoli, Luca De Gaetani, et al.
Journal of Chemical Theory and Computation|November 19, 2015
Computational Screening of Weak Hydrogen Bond Networks: Predicting Stable Structures for Difluoromethane OligomersGiacomo Prampolini, Laura Carbonaro, Gang Feng, et al.
Journal of Chemical Theory and Computation|November 22, 2015
Structure-Properties Relationships in Triplet Ground State Organic Diradicals: A Computational StudyVincenzo Barone, Corentin Boilleau, Ivo Cacelli, et al.
The Journal of Physical Chemistry. A|August 29, 2009
Magnetic interactions in phenyl-bridged nitroxide diradicals: conformational effects by multireference and broken symmetry DFT approachesVincenzo Barone, Ivo Cacelli, Paola Cimino, et al.
Chemical Communications (Cambridge, England)|November 13, 2013
Oligomers based on weak hydrogen bond networks: a rotational study of the tetramer of difluoromethaneGang Feng, Luca Evangelisti, Ivo Cacelli, et al.
Journal of Chemical Theory and Computation|October 7, 2016
Systematic and Automated Development of Quantum Mechanically Derived Force Fields: The Challenging Case of Halogenated HydrocarbonsGiacomo Prampolini, Marco Campetella, Nicola De Mitri, et al.
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