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The Journal of Chemical Physics|November 4, 2017
Application of the mixed time-averaging semiclassical initial value representation method to complex molecular spectraMax Buchholz, Frank Grossmann, Michele CeottoThe Journal of Chemical Physics|March 10, 2016
Mixed semiclassical initial value representation time-averaging propagator for spectroscopic calculationsMax Buchholz, Frank Grossmann, Michele CeottoThe Journal of Chemical Physics|March 24, 2018
Simplified approach to the mixed time-averaging semiclassical initial value representation for the calculation of dense vibrational spectraMax Buchholz, Frank Grossmann, Michele CeottoThe Journal of Physical Chemistry. A|July 25, 2012
Semiclassical hybrid approach to condensed phase molecular dynamics: application to the I2Kr17 clusterMax Buchholz, Christoph-Marian Goletz, Frank Grossmann, et al.The Journal of Chemical Physics|February 12, 2025
Exact factorization method for bound vibrational states: An analytical tool for accurate approximationsMichele CeottoJournal of Chemical Theory and Computation|September 12, 2023
Molecular Dynamics of Artificially Pair-Decoupled Systems: An Accurate Tool for Investigating the Importance of Intramolecular CouplingsMichele Gandolfi, Michele CeottoJournal of Chemical Theory and Computation|October 27, 2021
Unsupervised Machine Learning Neural Gas Algorithm for Accurate Evaluations of the Hessian Matrix in Molecular DynamicsMichele Gandolfi, Michele CeottoThe Journal of Chemical Physics|June 10, 2017
A quantum method for thermal rate constant calculations from stationary phase approximation of the thermal flux-flux correlation function integralChiara Aieta, Michele CeottoThe Journal of Chemical Physics|October 27, 2016
The importance of the pre-exponential factor in semiclassical molecular dynamicsGiovanni Di Liberto, Michele CeottoThe Journal of Chemical Physics|July 23, 2004
Test of the quantum instanton approximation for thermal rate constants for some collinear reactionsMichele Ceotto, William H MillerPageof 9