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The Journal of Physical Chemistry. A
|
September 13, 2024
Cholesky Decomposition in Spin-Free Dirac-Coulomb Coupled-Cluster Calculations
Tereza Uhlířová, Davide Cianchino, Tommaso Nottoli, et al.
The Journal of Chemical Physics
|
September 1, 2022
Computation of NMR shieldings at the CASSCF level using gauge-including atomic orbitals and Cholesky decomposition
Tommaso Nottoli, Sophia Burger, Stella Stopkowicz, et al.
Journal of Chemical Theory and Computation
|
December 11, 2023
Linear Response Equations Revisited: A Simple and Efficient Iterative Algorithm
Riccardo Alessandro, Ivan Giannì, Federica Pes, et al.
Journal of Chemical Theory and Computation
|
October 28, 2015
Vertical Electronic Excitations in Solution with the EOM-CCSD Method Combined with a Polarizable Explicit/Implicit Solvent Model
Marco Caricato, Filippo Lipparini, Giovanni Scalmani, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 8, 2020
Elucidating the role of structural fluctuations, and intermolecular and vibronic interactions in the spectroscopic response of a bacteriophytochrome
Veronica Macaluso, Lorenzo Cupellini, Giacomo Salvadori, et al.
The Journal of Physical Chemistry Letters
|
January 30, 2023
Fast Method for Excited-State Dynamics in Complex Systems and Its Application to the Photoactivation of a Blue Light Using Flavin Photoreceptor
Patrizia Mazzeo, Shaima Hashem, Filippo Lipparini, et al.
Annual Review of Physical Chemistry
|
February 9, 2021
Multiscale Models for Light-Driven Processes
Michele Nottoli, Lorenzo Cupellini, Filippo Lipparini, et al.
Journal of Chemical Theory and Computation
|
December 5, 2018
Nonequilibrium Environment Dynamics in a Frequency-Dependent Polarizable Embedding Model
Andrew Wildman, Greta Donati, Filippo Lipparini, et al.
The Journal of Chemical Physics
|
July 9, 2021
How accurate are EOM-CC4 vertical excitation energies?
Pierre-François Loos, Devin A Matthews, Filippo Lipparini, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 27, 2020
Polarizable embedding QM/MM: the future gold standard for complex (bio)systems?
Mattia Bondanza, Michele Nottoli, Lorenzo Cupellini, et al.
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of 11
Search research articles
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Showing results (41-50 of 105) with videos related to
Sort By:
Page
of 11
The Journal of Physical Chemistry. A
|
September 13, 2024
Cholesky Decomposition in Spin-Free Dirac-Coulomb Coupled-Cluster Calculations
Tereza Uhlířová, Davide Cianchino, Tommaso Nottoli, et al.
The Journal of Chemical Physics
|
September 1, 2022
Computation of NMR shieldings at the CASSCF level using gauge-including atomic orbitals and Cholesky decomposition
Tommaso Nottoli, Sophia Burger, Stella Stopkowicz, et al.
Journal of Chemical Theory and Computation
|
December 11, 2023
Linear Response Equations Revisited: A Simple and Efficient Iterative Algorithm
Riccardo Alessandro, Ivan Giannì, Federica Pes, et al.
Journal of Chemical Theory and Computation
|
October 28, 2015
Vertical Electronic Excitations in Solution with the EOM-CCSD Method Combined with a Polarizable Explicit/Implicit Solvent Model
Marco Caricato, Filippo Lipparini, Giovanni Scalmani, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 8, 2020
Elucidating the role of structural fluctuations, and intermolecular and vibronic interactions in the spectroscopic response of a bacteriophytochrome
Veronica Macaluso, Lorenzo Cupellini, Giacomo Salvadori, et al.
The Journal of Physical Chemistry Letters
|
January 30, 2023
Fast Method for Excited-State Dynamics in Complex Systems and Its Application to the Photoactivation of a Blue Light Using Flavin Photoreceptor
Patrizia Mazzeo, Shaima Hashem, Filippo Lipparini, et al.
Annual Review of Physical Chemistry
|
February 9, 2021
Multiscale Models for Light-Driven Processes
Michele Nottoli, Lorenzo Cupellini, Filippo Lipparini, et al.
Journal of Chemical Theory and Computation
|
December 5, 2018
Nonequilibrium Environment Dynamics in a Frequency-Dependent Polarizable Embedding Model
Andrew Wildman, Greta Donati, Filippo Lipparini, et al.
The Journal of Chemical Physics
|
July 9, 2021
How accurate are EOM-CC4 vertical excitation energies?
Pierre-François Loos, Devin A Matthews, Filippo Lipparini, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 27, 2020
Polarizable embedding QM/MM: the future gold standard for complex (bio)systems?
Mattia Bondanza, Michele Nottoli, Lorenzo Cupellini, et al.
Page
of 11