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The Journal of Chemical Physics|May 5, 2007
Quantum Monte Carlo study of first-row atoms using transcorrelated variational Monte Carlo trial functionsRajendra Prasad, Naoto Umezawa, Dominik Domin, et al.
The Journal of Physical Chemistry. A|November 5, 2015
Vibrational Signature of a Single Water Molecule Adsorbed on Pt(111): Toward a Reliable Anharmonic DescriptionDavid M Benoit
The Journal of Chemical Physics|July 23, 2004
Fast vibrational self-consistent field calculations through a reduced mode-mode coupling schemeDavid M Benoit
Frontiers in Bioscience (Landmark Edition)|March 11, 2009
Rationalising the vibrational spectra of biomolecules using atomistic simulationsDavid M Benoit
The Journal of Chemical Physics|December 24, 2008
Fast vibrational calculation of anharmonic OH-stretch frequencies for two low-energy noradrenaline conformersDavid M Benoit
The Journal of Chemical Physics|January 4, 2007
Efficient correlation-corrected vibrational self-consistent field computation of OH-stretch frequencies using a low-scaling algorithmDavid M Benoit
The Journal of Chemical Physics|January 30, 2021
Probing the structural properties of the water solvation shell around gold nanoparticles: A computational studyRika Tandiana, Emilie Brun, Cécile Sicard-Roselli, et al.
The Journal of Chemical Physics|November 6, 2007
Calculation of vibrational frequencies through a variational reduced-coupling approachYohann Scribano, David M Benoit
The Journal of Chemical Physics|August 14, 2009
Fast degenerate correlation-corrected vibrational self-consistent field calculations of the vibrational spectrum of 4-mercaptopyridineInga Respondek, David M Benoit
The Journal of Physical Chemistry. B|July 5, 2017
Coupled Valence-Bond State Molecular Dynamics Description of an Enzyme-Catalyzed Reaction in a Non-Aqueous Organic SolventElise Duboué-Dijon, Eva Pluhařová, Dominik Domin, et al.
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