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The Journal of Physical Chemistry. B|April 22, 2016
Ionic Vapor Composition in Critical and Supercritical States of Strongly Interacting Ionic CompoundsVitaly V Chaban, Oleg V Prezhdo
The Journal of Physical Chemistry Letters|October 27, 2015
Synergistic Amination of Graphene: Molecular Dynamics and ThermodynamicsVitaly V Chaban, Oleg V Prezhdo
Physical Review Letters|November 7, 2014
Second-quantized surface hoppingAlexey V Akimov, Oleg V Prezhdo
The Journal of Chemical Physics|December 20, 2012
Formulation of quantized Hamiltonian dynamics in terms of natural variablesAlexey V Akimov, Oleg V Prezhdo
The Journal of Physical Chemistry. A|June 14, 2016
Ab Initio Molecular Dynamics of Dimerization and Clustering in Alkali Metal VaporsVitaly V Chaban, Oleg V Prezhdo
The Journal of Physical Chemistry Letters|June 25, 2016
Haber Process Made Efficient by Hydroxylated Graphene: Ab Initio Thermochemistry and Reactive Molecular DynamicsVitaly V Chaban, Oleg V Prezhdo
Physical Review Letters|June 4, 2008
Nonradiative quenching of fluorescence in a semiconducting carbon nanotube: a time-domain ab initio studyBradley F Habenicht, Oleg V Prezhdo
The Journal of Chemical Physics|July 2, 2009
Analytic dynamics of the Morse oscillator derived by semiclassical closuresEric M Heatwole, Oleg V Prezhdo
Nanoscale|October 1, 2015
Structure and energetics of graphene oxide isomers: ab initio thermodynamic analysisVitaly V Chaban, Oleg V Prezhdo
Journal of the American Chemical Society|August 28, 2015
Nitrogen-Nitrogen Bonds Undermine Stability of N-Doped GrapheneVitaly V Chaban, Oleg V Prezhdo
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