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Boris V Merinov, Saber Naserifar, Sergey V Zybin
Saber Naserifar, Julius J Oppenheim, Hao Yang
Saber Naserifar, William A Goddard

Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid
Published on : Jan 25, 2020

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