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Physical Chemistry Chemical Physics : PCCP
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March 18, 2017
Quantitative prediction and interpretation of spin energy gaps in polyradicals: the virtual magnetic balance
Vincenzo 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 validation
Vincenzo Barone, Ivo Cacelli, Alessandro Ferretti, et al.
The Journal of Chemical Physics
|
March 17, 2017
Magnetic gaps in organic tri-radicals: From a simple model to accurate estimates
Vincenzo Barone, Ivo Cacelli, Alessandro Ferretti, et al.
The Journal of Physical Chemistry. B
|
April 18, 2014
Electron transport properties of diarylethene photoswitches by a simplified NEGF-DFT approach
Vincenzo Barone, Ivo Cacelli, Alessandro Ferretti, et al.
Molecular Biosystems
|
September 16, 2010
DNA hybridization mechanism on silicon nanowires: A molecular dynamics approach
Susanna Monti, Ivo Cacelli, Alessandro Ferretti, et al.
The Journal of Physical Chemistry. B
|
June 11, 2010
Simulating DNA hybridization on an amine-functionalized silicon substrate
Susanna 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 region
Ivo 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 Study
Vincenzo 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 Study
Vincenzo 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 DNA
Vincenzo Barone, Ivo Cacelli, Alessandro Ferretti, et al.
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of 13
Search research articles
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Showing results (21-30 of 130) with videos related to
Sort By:
Page
of 13
Physical Chemistry Chemical Physics : PCCP
|
March 18, 2017
Quantitative prediction and interpretation of spin energy gaps in polyradicals: the virtual magnetic balance
Vincenzo 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 validation
Vincenzo Barone, Ivo Cacelli, Alessandro Ferretti, et al.
The Journal of Chemical Physics
|
March 17, 2017
Magnetic gaps in organic tri-radicals: From a simple model to accurate estimates
Vincenzo Barone, Ivo Cacelli, Alessandro Ferretti, et al.
The Journal of Physical Chemistry. B
|
April 18, 2014
Electron transport properties of diarylethene photoswitches by a simplified NEGF-DFT approach
Vincenzo Barone, Ivo Cacelli, Alessandro Ferretti, et al.
Molecular Biosystems
|
September 16, 2010
DNA hybridization mechanism on silicon nanowires: A molecular dynamics approach
Susanna Monti, Ivo Cacelli, Alessandro Ferretti, et al.
The Journal of Physical Chemistry. B
|
June 11, 2010
Simulating DNA hybridization on an amine-functionalized silicon substrate
Susanna 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 region
Ivo 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 Study
Vincenzo 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 Study
Vincenzo 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 DNA
Vincenzo Barone, Ivo Cacelli, Alessandro Ferretti, et al.
Page
of 13