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Journal of Chemical Theory and Computation
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August 8, 2025
QUEST Database of Highly-Accurate Excitation Energies
Pierre-François Loos, Martial Boggio-Pasqua, Aymeric Blondel, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 10, 2012
Implementation and validation of a multi-purpose virtual spectrometer for large systems in complex environments
Vincenzo Barone, Alberto Baiardi, Malgorzata Biczysko, et al.
The Journal of Chemical Physics
|
July 10, 2010
A variational formulation of the polarizable continuum model
Filippo Lipparini, Giovanni Scalmani, Benedetta Mennucci, et al.
The Journal of Physical Chemistry. A
|
August 27, 2025
An Efficient and Robust Implementation of CASSCF Linear Response Theory
Tommaso Nottoli, Lorenzo Lapi, Riccardo Alessandro, et al.
Italian Journal of Orthopaedics and Traumatology
|
June 1, 1987
Ultrasonography in pathological conditions of muscles, tendons and joints
S Giannini, M Lipparini, S Della Villa, et al.
The Journal of Physical Chemistry. B
|
September 3, 2021
Ultrafast Transient Infrared Spectroscopy of Photoreceptors with Polarizable QM/MM Dynamics
Veronica Macaluso, Shaima Hashem, Michele Nottoli, et al.
The Journal of Physical Chemistry Letters
|
July 30, 2024
Importance of Polarizable Embedding for Computing Optical Rotation: The Case of Camphor in Ethanol
Michele Nottoli, Edoardo Vanich, Lorenzo Cupellini, et al.
The Journal of Physical Chemistry Letters
|
October 25, 2023
A Quasi Time-Reversible Scheme Based on Density Matrix Extrapolation on the Grassmann Manifold for Born-Oppenheimer Molecular Dynamics
Federica Pes, Étienne Polack, Patrizia Mazzeo, et al.
The Journal of Chemical Physics
|
April 1, 2024
The OpenMMPol library for polarizable QM/MM calculations of properties and dynamics
Mattia Bondanza, Tommaso Nottoli, Michele Nottoli, et al.
Journal of Chemical Theory and Computation
|
June 23, 2022
A Mountaineering Strategy to Excited States: Revising Reference Values with EOM-CC4
Pierre-François Loos, Filippo Lipparini, Devin A Matthews, et al.
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of 14
Search research articles
Search
Showing results (81-90 of 139) with videos related to
Sort By:
Page
of 14
Journal of Chemical Theory and Computation
|
August 8, 2025
QUEST Database of Highly-Accurate Excitation Energies
Pierre-François Loos, Martial Boggio-Pasqua, Aymeric Blondel, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 10, 2012
Implementation and validation of a multi-purpose virtual spectrometer for large systems in complex environments
Vincenzo Barone, Alberto Baiardi, Malgorzata Biczysko, et al.
The Journal of Chemical Physics
|
July 10, 2010
A variational formulation of the polarizable continuum model
Filippo Lipparini, Giovanni Scalmani, Benedetta Mennucci, et al.
The Journal of Physical Chemistry. A
|
August 27, 2025
An Efficient and Robust Implementation of CASSCF Linear Response Theory
Tommaso Nottoli, Lorenzo Lapi, Riccardo Alessandro, et al.
Italian Journal of Orthopaedics and Traumatology
|
June 1, 1987
Ultrasonography in pathological conditions of muscles, tendons and joints
S Giannini, M Lipparini, S Della Villa, et al.
The Journal of Physical Chemistry. B
|
September 3, 2021
Ultrafast Transient Infrared Spectroscopy of Photoreceptors with Polarizable QM/MM Dynamics
Veronica Macaluso, Shaima Hashem, Michele Nottoli, et al.
The Journal of Physical Chemistry Letters
|
July 30, 2024
Importance of Polarizable Embedding for Computing Optical Rotation: The Case of Camphor in Ethanol
Michele Nottoli, Edoardo Vanich, Lorenzo Cupellini, et al.
The Journal of Physical Chemistry Letters
|
October 25, 2023
A Quasi Time-Reversible Scheme Based on Density Matrix Extrapolation on the Grassmann Manifold for Born-Oppenheimer Molecular Dynamics
Federica Pes, Étienne Polack, Patrizia Mazzeo, et al.
The Journal of Chemical Physics
|
April 1, 2024
The OpenMMPol library for polarizable QM/MM calculations of properties and dynamics
Mattia Bondanza, Tommaso Nottoli, Michele Nottoli, et al.
Journal of Chemical Theory and Computation
|
June 23, 2022
A Mountaineering Strategy to Excited States: Revising Reference Values with EOM-CC4
Pierre-François Loos, Filippo Lipparini, Devin A Matthews, et al.
Page
of 14