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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
The Journal of Physical Chemistry. A|July 30, 2015
Decoherence Allows Model Reduction in Nonadiabatic Dynamics SimulationsDhara J Trivedi, Oleg V Prezhdo
Journal of Physics. Condensed Matter : an Institute of Physics Journal|August 22, 2012
Photoexcited electron and hole dynamics in semiconductor quantum dots: phonon-induced relaxation, dephasing, multiple exciton generation and recombinationKim Hyeon-Deuk, Oleg V Prezhdo
Journal of the American Chemical Society|January 9, 2014
Nonadiabatic dynamics of charge transfer and singlet fission at the pentacene/C60 interfaceAlexey V Akimov, Oleg V Prezhdo
Nanoscale|August 18, 2016
Boron doping of graphene-pushing the limitVitaly V Chaban, Oleg V Prezhdo
The Journal of Physical Chemistry Letters|August 14, 2015
Water Phase Diagram Is Significantly Altered by Imidazolium Ionic LiquidVitaly V Chaban, Oleg V Prezhdo
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