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The Journal of Chemical Physics
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May 23, 2012
Spin densities from subsystem density-functional theory: assessment and application to a photosynthetic reaction center complex model
Alisa Solovyeva, Michele Pavanello, Johannes Neugebauer
The Journal of Chemical Physics
|
May 3, 2014
Describing long-range charge-separation processes with subsystem density-functional theory
Alisa Solovyeva, Michele Pavanello, Johannes Neugebauer
Journal of Chemical Theory and Computation
|
May 13, 2021
GGA-Level Subsystem DFT Achieves Sub-kcal/mol Accuracy Intermolecular Interactions by Mimicking Nonlocal Functionals
Xuecheng Shao, Wenhui Mi, Michele Pavanello
The Journal of Chemical Physics
|
March 3, 2005
Quantum-mechanical studies of NMR properties of solutes in liquid crystals: a new strategy to determine orientational order parameters
Michele Pavanello, Benedetta Mennucci, Alberta Ferrarini
The Journal of Physical Chemistry. B
|
April 8, 2015
Performance of Frozen Density Embedding for Modeling Hole Transfer Reactions
Pablo Ramos, Markos Papadakis, Michele Pavanello
The Journal of Chemical Physics
|
April 24, 2015
Subsystem real-time time dependent density functional theory
Alisa Krishtal, Davide Ceresoli, Michele Pavanello
The Journal of Chemical Physics
|
February 17, 2011
Very accurate potential energy curve of the LiH molecule
Wei-Cheng Tung, Michele Pavanello, Ludwik Adamowicz
The Journal of Chemical Physics
|
November 18, 2009
How to calculate H3 better
Michele Pavanello, Wei-Cheng Tung, Ludwik Adamowicz
The Journal of Chemical Physics
|
November 7, 2012
Accurate potential energy curves for HeH+ isotopologues
Wei-Cheng Tung, Michele Pavanello, Ludwik Adamowicz
The Journal of Physical Chemistry Letters
|
October 3, 2017
Cooperation and Environment Characterize the Low-Lying Optical Spectrum of Liquid Water
Sudheer Kumar P, Alessandro Genova, Michele Pavanello
Page
of 7
Search research articles
Search
Showing results (21-30 of 64) with videos related to
Sort By:
Page
of 7
The Journal of Chemical Physics
|
May 23, 2012
Spin densities from subsystem density-functional theory: assessment and application to a photosynthetic reaction center complex model
Alisa Solovyeva, Michele Pavanello, Johannes Neugebauer
The Journal of Chemical Physics
|
May 3, 2014
Describing long-range charge-separation processes with subsystem density-functional theory
Alisa Solovyeva, Michele Pavanello, Johannes Neugebauer
Journal of Chemical Theory and Computation
|
May 13, 2021
GGA-Level Subsystem DFT Achieves Sub-kcal/mol Accuracy Intermolecular Interactions by Mimicking Nonlocal Functionals
Xuecheng Shao, Wenhui Mi, Michele Pavanello
The Journal of Chemical Physics
|
March 3, 2005
Quantum-mechanical studies of NMR properties of solutes in liquid crystals: a new strategy to determine orientational order parameters
Michele Pavanello, Benedetta Mennucci, Alberta Ferrarini
The Journal of Physical Chemistry. B
|
April 8, 2015
Performance of Frozen Density Embedding for Modeling Hole Transfer Reactions
Pablo Ramos, Markos Papadakis, Michele Pavanello
The Journal of Chemical Physics
|
April 24, 2015
Subsystem real-time time dependent density functional theory
Alisa Krishtal, Davide Ceresoli, Michele Pavanello
The Journal of Chemical Physics
|
February 17, 2011
Very accurate potential energy curve of the LiH molecule
Wei-Cheng Tung, Michele Pavanello, Ludwik Adamowicz
The Journal of Chemical Physics
|
November 18, 2009
How to calculate H3 better
Michele Pavanello, Wei-Cheng Tung, Ludwik Adamowicz
The Journal of Chemical Physics
|
November 7, 2012
Accurate potential energy curves for HeH+ isotopologues
Wei-Cheng Tung, Michele Pavanello, Ludwik Adamowicz
The Journal of Physical Chemistry Letters
|
October 3, 2017
Cooperation and Environment Characterize the Low-Lying Optical Spectrum of Liquid Water
Sudheer Kumar P, Alessandro Genova, Michele Pavanello
Page
of 7