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1 Ergebnisse
1
Finite-Temperature Single Molecule Vibrational Dynamics fro..:
Koteska Bojana
;
Mishev Anastas
;
Pejov Ljupco
https://doi.org/10.2478/cait-2020-0074. , 2020
Link:
https://doi.org/10.2478/cait-2020-0074
RT Journal T1
Finite-Temperature Single Molecule Vibrational Dynamics from Combined Density Functional Tight Binding Extended Lagrangian Dynamics Simulations and Time Series Analysis
UL https://suche.suub.uni-bremen.de/peid=base-ftdoajarticles:oai:doaj.org_article:c004e8abc03a49088bc1db40f4f9c5c3&Exemplar=1&LAN=DE A1 Koteska Bojana A1 Mishev Anastas A1 Pejov Ljupco PB Sciendo YR 2020 K1 atom-centered density matrix propagation K1 density functional tight binding K1 molecular dynamics K1 finite-temperature vibrational dynamics K1 formic acid K1 torsional motion K1 Cybernetics K1 Q300-390 JF https://doi.org/10.2478/cait-2020-0074 LK http://dx.doi.org/https://doi.org/10.2478/cait-2020-0074 DO https://doi.org/10.2478/cait-2020-0074 SF ELIB - SuUB Bremen
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