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Lipparini

Showing results (21-30 of 139) with videos related to

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Journal of Chemical Theory and Computation|July 28, 2016
Cost-Effective Treatment of Scalar Relativistic Effects for Multireference Systems: A CASSCF Implementation Based on the Spin-free Dirac-Coulomb HamiltonianFilippo Lipparini, Jürgen Gauss
Journal of Chemical Theory and Computation|December 24, 2021
Fast Approximate but Accurate QM/MM Interactions for Polarizable EmbeddingPeter Reinholdt, Jacob Kongsted, Filippo Lipparini
Physical Review. B, Condensed Matter|November 15, 1993
Pseudojellium model with an application to lithium clustersSerra, Bachelet, Van Giai N, et al.
The Journal of Physical Chemistry. B|September 9, 2020
Absorption and Circular Dichroism Spectra of Molecular Aggregates With the Full Cumulant ExpansionLorenzo Cupellini, Filippo Lipparini, Jianshu Cao
The Journal of Chemical Physics|June 28, 2013
A gauge invariant multiscale approach to magnetic spectroscopies in condensed phase: general three-layer model, computational implementation and pilot applicationsFilippo Lipparini, Chiara Cappelli, Vincenzo Barone
Journal of Chemical Theory and Computation|November 26, 2015
Linear Response Theory and Electronic Transition Energies for a Fully Polarizable QM/Classical HamiltonianFilippo Lipparini, Chiara Cappelli, Vincenzo Barone
Physical Chemistry Chemical Physics : PCCP|August 27, 2020
Excited state Born-Oppenheimer molecular dynamics through coupling between time dependent DFT and AMOEBAMichele Nottoli, Benedetta Mennucci, Filippo Lipparini
Archivio Di Patologia E Clinica Medica|August 1, 1970
[Study on digital arterial reactivity in a case of Raynaud's disease]R Lipparini, S Semeraro, F Palmieri
Physical Chemistry Chemical Physics : PCCP|December 22, 2009
Non covalent interactions in RNA and DNA base pairs: a quantum-mechanical study of the coupling between solvent and electronic densityFilippo Lipparini, Giovanni Scalmani, Benedetta Mennucci
The Journal of Chemical Physics|December 17, 2017
Computation of forces arising from the polarizable continuum model within the domain-decomposition paradigmPaolo Gatto, Filippo Lipparini, Benjamin Stamm
Pageof 14

Showing results (21-30 of 139) with videos related to

Sort By:
Pageof 14
Journal of Chemical Theory and Computation|July 28, 2016
Cost-Effective Treatment of Scalar Relativistic Effects for Multireference Systems: A CASSCF Implementation Based on the Spin-free Dirac-Coulomb HamiltonianFilippo Lipparini, Jürgen Gauss
Journal of Chemical Theory and Computation|December 24, 2021
Fast Approximate but Accurate QM/MM Interactions for Polarizable EmbeddingPeter Reinholdt, Jacob Kongsted, Filippo Lipparini
Physical Review. B, Condensed Matter|November 15, 1993
Pseudojellium model with an application to lithium clustersSerra, Bachelet, Van Giai N, et al.
The Journal of Physical Chemistry. B|September 9, 2020
Absorption and Circular Dichroism Spectra of Molecular Aggregates With the Full Cumulant ExpansionLorenzo Cupellini, Filippo Lipparini, Jianshu Cao
The Journal of Chemical Physics|June 28, 2013
A gauge invariant multiscale approach to magnetic spectroscopies in condensed phase: general three-layer model, computational implementation and pilot applicationsFilippo Lipparini, Chiara Cappelli, Vincenzo Barone
Journal of Chemical Theory and Computation|November 26, 2015
Linear Response Theory and Electronic Transition Energies for a Fully Polarizable QM/Classical HamiltonianFilippo Lipparini, Chiara Cappelli, Vincenzo Barone
Physical Chemistry Chemical Physics : PCCP|August 27, 2020
Excited state Born-Oppenheimer molecular dynamics through coupling between time dependent DFT and AMOEBAMichele Nottoli, Benedetta Mennucci, Filippo Lipparini
Archivio Di Patologia E Clinica Medica|August 1, 1970
[Study on digital arterial reactivity in a case of Raynaud's disease]R Lipparini, S Semeraro, F Palmieri
Physical Chemistry Chemical Physics : PCCP|December 22, 2009
Non covalent interactions in RNA and DNA base pairs: a quantum-mechanical study of the coupling between solvent and electronic densityFilippo Lipparini, Giovanni Scalmani, Benedetta Mennucci
The Journal of Chemical Physics|December 17, 2017
Computation of forces arising from the polarizable continuum model within the domain-decomposition paradigmPaolo Gatto, Filippo Lipparini, Benjamin Stamm
Pageof 14