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The Journal of Physical Chemistry. A
|
March 6, 2015
The nature and role of the gold-krypton interactions in small neutral gold clusters
Luis A Mancera, David M Benoit
Physical Chemistry Chemical Physics : PCCP
|
December 1, 2015
Vibrational anharmonicity of small gold and silver clusters using the VSCF method
Luis A Mancera, David M Benoit
Faraday Discussions
|
September 22, 2018
Does cage quantum delocalisation influence the translation-rotational bound states of molecular hydrogen in clathrate hydrate?
David M Benoit, David Lauvergnat, Yohann Scribano
The Journal of Chemical Physics
|
September 14, 2010
Fast vibrational configuration interaction using generalized curvilinear coordinates and self-consistent basis
Yohann Scribano, David M Lauvergnat, David M Benoit
Journal of Chemical Theory and Computation
|
March 23, 2018
Influence of Solvent Representation on Nuclear Shielding Calculations of Protonation States of Small Biological Molecules
Christina C Roggatz, Mark Lorch, David M Benoit
Physical Chemistry Chemical Physics : PCCP
|
May 8, 2010
Bis(terpyridine)-based surface template structures on graphite: a force field and DFT study
Daniela Künzel, Thomas Markert, Axel Gross, et al.
Peerj. Computer Science
|
August 15, 2024
Encoder-decoder convolutional neural network for simple CT segmentation of COVID-19 infected lungs
Kiri S Newson, David M Benoit, Andrew W Beavis
The Journal of Chemical Physics
|
April 22, 2019
H<sub>2</sub>, HD, and D<sub>2</sub> in the small cage of structure II clathrate hydrate: Vibrational frequency shifts from fully coupled quantum six-dimensional calculations of the vibration-translation-rotation eigenstates
David Lauvergnat, Peter Felker, Yohann Scribano, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 17, 2014
Carbon dioxide interaction with isolated imidazole or attached on gold clusters and surface: competition between σ H-bond and π stacking interaction
Muthuramalingam Prakash, Kévin Mathivon, David M Benoit, et al.
Journal of Chemical Theory and Computation
|
May 18, 2022
Smolyak Algorithm Adapted to a System-Bath Separation: Application to an Encapsulated Molecule with Large-Amplitude Motions
Ahai Chen, David M Benoit, Yohann Scribano, et al.
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of 4
Search research articles
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Showing results (11-20 of 37) with videos related to
Sort By:
Page
of 4
The Journal of Physical Chemistry. A
|
March 6, 2015
The nature and role of the gold-krypton interactions in small neutral gold clusters
Luis A Mancera, David M Benoit
Physical Chemistry Chemical Physics : PCCP
|
December 1, 2015
Vibrational anharmonicity of small gold and silver clusters using the VSCF method
Luis A Mancera, David M Benoit
Faraday Discussions
|
September 22, 2018
Does cage quantum delocalisation influence the translation-rotational bound states of molecular hydrogen in clathrate hydrate?
David M Benoit, David Lauvergnat, Yohann Scribano
The Journal of Chemical Physics
|
September 14, 2010
Fast vibrational configuration interaction using generalized curvilinear coordinates and self-consistent basis
Yohann Scribano, David M Lauvergnat, David M Benoit
Journal of Chemical Theory and Computation
|
March 23, 2018
Influence of Solvent Representation on Nuclear Shielding Calculations of Protonation States of Small Biological Molecules
Christina C Roggatz, Mark Lorch, David M Benoit
Physical Chemistry Chemical Physics : PCCP
|
May 8, 2010
Bis(terpyridine)-based surface template structures on graphite: a force field and DFT study
Daniela Künzel, Thomas Markert, Axel Gross, et al.
Peerj. Computer Science
|
August 15, 2024
Encoder-decoder convolutional neural network for simple CT segmentation of COVID-19 infected lungs
Kiri S Newson, David M Benoit, Andrew W Beavis
The Journal of Chemical Physics
|
April 22, 2019
H<sub>2</sub>, HD, and D<sub>2</sub> in the small cage of structure II clathrate hydrate: Vibrational frequency shifts from fully coupled quantum six-dimensional calculations of the vibration-translation-rotation eigenstates
David Lauvergnat, Peter Felker, Yohann Scribano, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 17, 2014
Carbon dioxide interaction with isolated imidazole or attached on gold clusters and surface: competition between σ H-bond and π stacking interaction
Muthuramalingam Prakash, Kévin Mathivon, David M Benoit, et al.
Journal of Chemical Theory and Computation
|
May 18, 2022
Smolyak Algorithm Adapted to a System-Bath Separation: Application to an Encapsulated Molecule with Large-Amplitude Motions
Ahai Chen, David M Benoit, Yohann Scribano, et al.
Page
of 4