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Filippo Lipparini

Showing results (11-20 of 105) with videos related to

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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
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
Journal of Chemical Theory and Computation|November 1, 2021
Second-Order CASSCF Algorithm with the Cholesky Decomposition of the Two-Electron IntegralsTommaso Nottoli, Jürgen Gauss, Filippo Lipparini
The Journal of Chemical Physics|December 15, 2023
A novel coupled-cluster singles and doubles implementation that combines the exploitation of point-group symmetry and Cholesky decomposition of the two-electron integralsTommaso Nottoli, Jürgen Gauss, Filippo Lipparini
The Journal of Physical Chemistry Letters|September 12, 2017
Virtual Orbital Many-Body Expansions: A Possible Route towards the Full Configuration Interaction LimitJanus J Eriksen, Filippo Lipparini, Jürgen Gauss
The Journal of Physical Chemistry Letters|December 4, 2023
Heptazine, Cyclazine, and Related Compounds: Chemically-Accurate Estimates of the Inverted Singlet-Triplet GapPierre-François Loos, Filippo Lipparini, Denis Jacquemin
The Journal of Physical Chemistry Letters|March 3, 2025
Correction to "Heptazine, Cyclazine, and Related Compounds: Chemically-Accurate Estimates of the Inverted Singlet-Triplet Gap"Pierre-François Loos, Filippo Lipparini, Denis Jacquemin
Journal of Chemical Theory and Computation|October 8, 2021
Grassmann Extrapolation of Density Matrices for Born-Oppenheimer Molecular DynamicsÉtienne Polack, Geneviève Dusson, Benjamin Stamm, et al.
Journal of Chemical Theory and Computation|September 3, 2021
Energy, Structures, and Response Properties with a Fully Coupled QM/AMOEBA/ddCOSMO ImplementationMichele Nottoli, Riccardo Nifosì, Benedetta Mennucci, et al.
Pageof 11

Showing results (11-20 of 105) with videos related to

Sort By:
Pageof 11
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
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
Journal of Chemical Theory and Computation|November 1, 2021
Second-Order CASSCF Algorithm with the Cholesky Decomposition of the Two-Electron IntegralsTommaso Nottoli, Jürgen Gauss, Filippo Lipparini
The Journal of Chemical Physics|December 15, 2023
A novel coupled-cluster singles and doubles implementation that combines the exploitation of point-group symmetry and Cholesky decomposition of the two-electron integralsTommaso Nottoli, Jürgen Gauss, Filippo Lipparini
The Journal of Physical Chemistry Letters|September 12, 2017
Virtual Orbital Many-Body Expansions: A Possible Route towards the Full Configuration Interaction LimitJanus J Eriksen, Filippo Lipparini, Jürgen Gauss
The Journal of Physical Chemistry Letters|December 4, 2023
Heptazine, Cyclazine, and Related Compounds: Chemically-Accurate Estimates of the Inverted Singlet-Triplet GapPierre-François Loos, Filippo Lipparini, Denis Jacquemin
The Journal of Physical Chemistry Letters|March 3, 2025
Correction to "Heptazine, Cyclazine, and Related Compounds: Chemically-Accurate Estimates of the Inverted Singlet-Triplet Gap"Pierre-François Loos, Filippo Lipparini, Denis Jacquemin
Journal of Chemical Theory and Computation|October 8, 2021
Grassmann Extrapolation of Density Matrices for Born-Oppenheimer Molecular DynamicsÉtienne Polack, Geneviève Dusson, Benjamin Stamm, et al.
Journal of Chemical Theory and Computation|September 3, 2021
Energy, Structures, and Response Properties with a Fully Coupled QM/AMOEBA/ddCOSMO ImplementationMichele Nottoli, Riccardo Nifosì, Benedetta Mennucci, et al.
Pageof 11