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 2019-05-20 - 13:27 authored by Felix Plasser
Supporting Research Data 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 (submitted for publication, DOI: 10.26434/chemrxiv.8201621)
The data is given in the form of input and output files for SHARC.
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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
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FUNDING
FWF I2883
Excited states and dynamics of functional Re(I) complexes embedded in metalloproteins
FWF Austrian Science Fund
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AUTHORS (6)
- MFMaria FumanalEGEtienne GindenspergerCDChantal DanielLGLeticia Gonzalez
