Research Data for Strong Influence of Decoherence Corrections and Momentum Rescaling in Surface Hopping Dynamics of Transition Metal Complexes
Version 2 2019-08-09, 11:14
Version 1 2019-05-20, 13:27
Posted on 2019-08-09 - 11:14 authored by Felix Plasser
Supporting Research Data for Strong Influence of Decoherence Corrections and Momentum Rescaling in Surface Hopping Dynamics of Transition Metal Complexes by F. Plasser, S. Mai, M. Fumanal, E. Gindensperger, C. Daniel, L. Gonzalez published in the J. Chem. Theory Comput. (DOI: 10.1021/acs.jctc.9b00525).
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Plasser, Felix; Mai, Sebastian; Fumanal, Maria; Gindensperger, Etienne; Daniel, Chantal; Gonzalez, Leticia (2019). Research Data for Strong Influence of Decoherence Corrections and Momentum Rescaling in Surface Hopping Dynamics of Transition Metal Complexes. Loughborough University. Collection. https://doi.org/10.17028/rd.lboro.c.4493135.v2
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Excited states and dynamics of functional Re(I) complexes embedded in metalloproteins
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AUTHORS (6)
MF
Maria Fumanal
EG
Etienne Gindensperger
CD
Chantal Daniel
LG
Leticia Gonzalez