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Journal of Chemical Theory and Computation
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March 4, 2026
Solvation Lies Within: Simulating Condensed-Phase Properties from Local Electronic Structures
Kasper F Schaltz, Jonas Greiner, Filippo Lipparini, et al.
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.
Rivista Di Medicina Aeronautica E Spaziale
|
January 1, 1971
[Studies of the extrarenal production of erythropoietin. Preliminary studies in bi-nephrectomized animals, exposed to hypoxia]
C Peschle, G F Sasso, F Rossanigo, et al.
Journal of Chemical Theory and Computation
|
November 26, 2015
Analytical First and Second Derivatives for a Fully Polarizable QM/Classical Hamiltonian
Filippo Lipparini, Chiara Cappelli, Giovanni Scalmani, et al.
Annual Review of Physical Chemistry
|
February 9, 2021
Multiscale Models for Light-Driven Processes
Michele Nottoli, Lorenzo Cupellini, Filippo Lipparini, et al.
Page
of 14
Search research articles
Search
Showing results (61-70 of 139) with videos related to
Sort By:
Page
of 14
Journal of Chemical Theory and Computation
|
March 4, 2026
Solvation Lies Within: Simulating Condensed-Phase Properties from Local Electronic Structures
Kasper F Schaltz, Jonas Greiner, Filippo Lipparini, et al.
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.
Rivista Di Medicina Aeronautica E Spaziale
|
January 1, 1971
[Studies of the extrarenal production of erythropoietin. Preliminary studies in bi-nephrectomized animals, exposed to hypoxia]
C Peschle, G F Sasso, F Rossanigo, et al.
Journal of Chemical Theory and Computation
|
November 26, 2015
Analytical First and Second Derivatives for a Fully Polarizable QM/Classical Hamiltonian
Filippo Lipparini, Chiara Cappelli, Giovanni Scalmani, et al.
Annual Review of Physical Chemistry
|
February 9, 2021
Multiscale Models for Light-Driven Processes
Michele Nottoli, Lorenzo Cupellini, Filippo Lipparini, et al.
Page
of 14