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Michele Pavanello

Showing results (31-40 of 64) with videos related to

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The Journal of Chemical Physics|March 20, 2012
Very accurate potential energy curve of the He2+ ionWei-Cheng Tung, Michele Pavanello, Ludwik Adamowicz
The Journal of Chemical Physics|October 5, 2010
Accurate one-dimensional potential energy curve of the linear (H2)2 clusterWei-Cheng Tung, Michele Pavanello, Ludwik Adamowicz
Nanoscale|September 14, 2018
Probing charge transfer dynamics in a single iron tetraphenylporphyrin dyad adsorbed on an insulating surfacePablo Ramos, Marc Mankarious, Michele Pavanello, et al.
The Journal of Physical Chemistry Letters|November 19, 2019
Ab Initio Structure and Dynamics of CO<sub>2</sub> at Supercritical ConditionsWenhui Mi, Pablo Ramos, Jack Maranhao, et al.
The Journal of Physical Chemistry. B|March 19, 2010
Modeling hole transport in wet and dry DNAMichele Pavanello, Ludwik Adamowicz, Maksym Volobuyev, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal|April 17, 2015
Subsystem density-functional theory as an effective tool for modeling ground and excited states, their dynamics and many-body interactionsAlisa Krishtal, Debalina Sinha, Alessandro Genova, et al.
The Journal of Chemical Physics|September 24, 2005
Non-Born-Oppenheimer calculations of the pure vibrational spectrum of HeH+Michele Pavanello, Sergiy Bubin, Marcin Molski, et al.
The Journal of Chemical Physics|February 15, 2013
An accurate and linear-scaling method for calculating charge-transfer excitation energies and diabatic couplingsMichele Pavanello, Troy Van Voorhis, Lucas Visscher, et al.
The Journal of Chemical Physics|February 26, 2009
New more accurate calculations of the ground state potential energy surface of H(3) (+)Michele Pavanello, Wei-Cheng Tung, Filip Leonarski, et al.
Chemical Reviews|October 23, 2023
Orbital-Free Density Functional Theory: An Attractive Electronic Structure Method for Large-Scale First-Principles SimulationsWenhui Mi, Kai Luo, S B Trickey, et al.
Pageof 7

Showing results (31-40 of 64) with videos related to

Sort By:
Pageof 7
The Journal of Chemical Physics|March 20, 2012
Very accurate potential energy curve of the He2+ ionWei-Cheng Tung, Michele Pavanello, Ludwik Adamowicz
The Journal of Chemical Physics|October 5, 2010
Accurate one-dimensional potential energy curve of the linear (H2)2 clusterWei-Cheng Tung, Michele Pavanello, Ludwik Adamowicz
Nanoscale|September 14, 2018
Probing charge transfer dynamics in a single iron tetraphenylporphyrin dyad adsorbed on an insulating surfacePablo Ramos, Marc Mankarious, Michele Pavanello, et al.
The Journal of Physical Chemistry Letters|November 19, 2019
Ab Initio Structure and Dynamics of CO<sub>2</sub> at Supercritical ConditionsWenhui Mi, Pablo Ramos, Jack Maranhao, et al.
The Journal of Physical Chemistry. B|March 19, 2010
Modeling hole transport in wet and dry DNAMichele Pavanello, Ludwik Adamowicz, Maksym Volobuyev, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal|April 17, 2015
Subsystem density-functional theory as an effective tool for modeling ground and excited states, their dynamics and many-body interactionsAlisa Krishtal, Debalina Sinha, Alessandro Genova, et al.
The Journal of Chemical Physics|September 24, 2005
Non-Born-Oppenheimer calculations of the pure vibrational spectrum of HeH+Michele Pavanello, Sergiy Bubin, Marcin Molski, et al.
The Journal of Chemical Physics|February 15, 2013
An accurate and linear-scaling method for calculating charge-transfer excitation energies and diabatic couplingsMichele Pavanello, Troy Van Voorhis, Lucas Visscher, et al.
The Journal of Chemical Physics|February 26, 2009
New more accurate calculations of the ground state potential energy surface of H(3) (+)Michele Pavanello, Wei-Cheng Tung, Filip Leonarski, et al.
Chemical Reviews|October 23, 2023
Orbital-Free Density Functional Theory: An Attractive Electronic Structure Method for Large-Scale First-Principles SimulationsWenhui Mi, Kai Luo, S B Trickey, et al.
Pageof 7