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Journal of Chemical Theory and Computation
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July 28, 2016
Cost-Effective Treatment of Scalar Relativistic Effects for Multireference Systems: A CASSCF Implementation Based on the Spin-free Dirac-Coulomb Hamiltonian
Filippo Lipparini, Jürgen Gauss
Journal of Chemical Theory and Computation
|
December 24, 2021
Fast Approximate but Accurate QM/MM Interactions for Polarizable Embedding
Peter Reinholdt, Jacob Kongsted, Filippo Lipparini
Physical Review. B, Condensed Matter
|
November 15, 1993
Pseudojellium model with an application to lithium clusters
Serra, 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 Expansion
Lorenzo 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 applications
Filippo 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 Hamiltonian
Filippo 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 AMOEBA
Michele 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 density
Filippo 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 paradigm
Paolo Gatto, Filippo Lipparini, Benjamin Stamm
Page
of 14
Search research articles
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Showing results (21-30 of 139) with videos related to
Sort By:
Page
of 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 Hamiltonian
Filippo Lipparini, Jürgen Gauss
Journal of Chemical Theory and Computation
|
December 24, 2021
Fast Approximate but Accurate QM/MM Interactions for Polarizable Embedding
Peter Reinholdt, Jacob Kongsted, Filippo Lipparini
Physical Review. B, Condensed Matter
|
November 15, 1993
Pseudojellium model with an application to lithium clusters
Serra, 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 Expansion
Lorenzo 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 applications
Filippo 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 Hamiltonian
Filippo 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 AMOEBA
Michele 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 density
Filippo 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 paradigm
Paolo Gatto, Filippo Lipparini, Benjamin Stamm
Page
of 14