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Charles J C Scott, Roberto Di Remigio, T Daniel Crawford
Daniel G A Smith, Lori A Burns, Andrew C Simmonett
Anna Krylov, Theresa L Windus, Taylor Barnes
Daniel G A Smith
Roberto Di Remigio
Anna Krylov
Jessica A Nash
Doaa Altarawy
Cecilia Clementi
Teresa Head-Gordon
Lori A Burns
Andrew C Simmonett
Robert M Parrish

Computation of Atmospheric Concentrations of Molecular Clusters from <em>ab initio</em> Thermochemistry
Published on : Apr 08, 2020

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
Published on : Apr 12, 2019