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Physical Chemistry Chemical Physics : PCCP
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March 18, 2016
Frozen-density embedding theory with average solvent charge densities from explicit atomistic simulations
Andrey Laktionov, Emilie Chemineau-Chalaye, Tomasz A Wesolowski
The Journal of Chemical Physics
|
November 25, 2010
Nonadiabatic coupling vectors for excited states within time-dependent density functional theory in the Tamm-Dancoff approximation and beyond
Ivano Tavernelli, Basile F E Curchod, Andrey Laktionov, et al.
Chimia
|
July 13, 2011
Mixed quantum mechanical/molecular mechanical (QM/MM) simulations of adiabatic and nonadiabatic ultrafast phenomena
Basile F E Curchod, Pablo Campomanes, Andrey Laktionov, et al.
Chimia
|
October 27, 2011
Pushing the frontiers of first-principles based computer simulations of chemical and biological systems
Elizabeth Brunk, Negar Ashari, Prashanth Athri, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 4) with videos related to
Sort By:
Page
of 1
Physical Chemistry Chemical Physics : PCCP
|
March 18, 2016
Frozen-density embedding theory with average solvent charge densities from explicit atomistic simulations
Andrey Laktionov, Emilie Chemineau-Chalaye, Tomasz A Wesolowski
The Journal of Chemical Physics
|
November 25, 2010
Nonadiabatic coupling vectors for excited states within time-dependent density functional theory in the Tamm-Dancoff approximation and beyond
Ivano Tavernelli, Basile F E Curchod, Andrey Laktionov, et al.
Chimia
|
July 13, 2011
Mixed quantum mechanical/molecular mechanical (QM/MM) simulations of adiabatic and nonadiabatic ultrafast phenomena
Basile F E Curchod, Pablo Campomanes, Andrey Laktionov, et al.
Chimia
|
October 27, 2011
Pushing the frontiers of first-principles based computer simulations of chemical and biological systems
Elizabeth Brunk, Negar Ashari, Prashanth Athri, et al.
Page
of 1