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Ivo Cacelli

Showing results (21-30 of 49) with videos related to

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Physical Chemistry Chemical Physics : PCCP|March 18, 2017
Quantitative prediction and interpretation of spin energy gaps in polyradicals: the virtual magnetic balanceVincenzo Barone, Ivo Cacelli, Alessandro Ferretti, et al.
The Journal of Chemical Physics|December 17, 2009
Accurate yet feasible post-Hartree-Fock computation of magnetic interactions in large biradicals through a combined variational/perturbative approach: Setup and validationVincenzo Barone, Ivo Cacelli, Alessandro Ferretti, et al.
Journal of Computational Chemistry|March 14, 2012
An automated approach for the parameterization of accurate intermolecular force-fields: pyridine as a case studyIvo Cacelli, Antonella Cimoli, Paolo Roberto Livotto, et al.
The Journal of Physical Chemistry. B|February 10, 2007
Liquid crystal properties of the n-alkyl-cyanobiphenyl series from atomistic simulations with ab initio derived force fieldsIvo Cacelli, Luca De Gaetani, Giacomo Prampolini, et al.
Molecular Biosystems|September 16, 2010
DNA hybridization mechanism on silicon nanowires: A molecular dynamics approachSusanna Monti, Ivo Cacelli, Alessandro Ferretti, et al.
The Journal of Physical Chemistry. B|June 11, 2010
Simulating DNA hybridization on an amine-functionalized silicon substrateSusanna Monti, Ivo Cacelli, Alessandro Ferretti, et al.
Inorganic Chemistry|February 18, 2004
[(NH3)5Ru(1,2,4,5-tetrazine)]2+: synthesis and experimental and theoretical study of its solvatochromism in the visible spectral regionIvo Cacelli, Silvio Campanile, Gianfranco Denti, et al.
Journal of Chemical Theory and Computation|November 20, 2015
Conformational Effects on the Magnetic Properties of an Organic Diradical: A Computational StudyVincenzo Barone, Corentin Boilleau, Ivo Cacelli, et al.
Journal of Chemical Theory and Computation|November 20, 2015
Proton and Electron Transfer Mechanisms in the Formation of Neutral and Charged Quinhydrone-Like Complexes: A Multilayered Computational StudyVincenzo Barone, Ivo Cacelli, Alessandro Ferretti, et al.
Physical Chemistry Chemical Physics : PCCP|February 11, 2010
Sensors for DNA detection: theoretical investigation of the conformational properties of immobilized single-strand DNAVincenzo Barone, Ivo Cacelli, Alessandro Ferretti, et al.
Pageof 5

Showing results (21-30 of 49) with videos related to

Sort By:
Pageof 5
Physical Chemistry Chemical Physics : PCCP|March 18, 2017
Quantitative prediction and interpretation of spin energy gaps in polyradicals: the virtual magnetic balanceVincenzo Barone, Ivo Cacelli, Alessandro Ferretti, et al.
The Journal of Chemical Physics|December 17, 2009
Accurate yet feasible post-Hartree-Fock computation of magnetic interactions in large biradicals through a combined variational/perturbative approach: Setup and validationVincenzo Barone, Ivo Cacelli, Alessandro Ferretti, et al.
Journal of Computational Chemistry|March 14, 2012
An automated approach for the parameterization of accurate intermolecular force-fields: pyridine as a case studyIvo Cacelli, Antonella Cimoli, Paolo Roberto Livotto, et al.
The Journal of Physical Chemistry. B|February 10, 2007
Liquid crystal properties of the n-alkyl-cyanobiphenyl series from atomistic simulations with ab initio derived force fieldsIvo Cacelli, Luca De Gaetani, Giacomo Prampolini, et al.
Molecular Biosystems|September 16, 2010
DNA hybridization mechanism on silicon nanowires: A molecular dynamics approachSusanna Monti, Ivo Cacelli, Alessandro Ferretti, et al.
The Journal of Physical Chemistry. B|June 11, 2010
Simulating DNA hybridization on an amine-functionalized silicon substrateSusanna Monti, Ivo Cacelli, Alessandro Ferretti, et al.
Inorganic Chemistry|February 18, 2004
[(NH3)5Ru(1,2,4,5-tetrazine)]2+: synthesis and experimental and theoretical study of its solvatochromism in the visible spectral regionIvo Cacelli, Silvio Campanile, Gianfranco Denti, et al.
Journal of Chemical Theory and Computation|November 20, 2015
Conformational Effects on the Magnetic Properties of an Organic Diradical: A Computational StudyVincenzo Barone, Corentin Boilleau, Ivo Cacelli, et al.
Journal of Chemical Theory and Computation|November 20, 2015
Proton and Electron Transfer Mechanisms in the Formation of Neutral and Charged Quinhydrone-Like Complexes: A Multilayered Computational StudyVincenzo Barone, Ivo Cacelli, Alessandro Ferretti, et al.
Physical Chemistry Chemical Physics : PCCP|February 11, 2010
Sensors for DNA detection: theoretical investigation of the conformational properties of immobilized single-strand DNAVincenzo Barone, Ivo Cacelli, Alessandro Ferretti, et al.
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