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1 Ergebnisse
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Automatized protocol and interface to simulate QM/MM time‐r..:
Avagliano, Davide
;
Bonfanti, Matteo
;
Nenov, Artur
.
Journal of Computational Chemistry. 43 (2022) 24 - p. 1641-1655 , 2022
Link:
https://doi.org/10.1002/jcc.26966
RT Journal T1
Automatized protocol and interface to simulate QM/MM time‐resolved transient absorption at TD‐DFT level with COBRAMM
UL https://suche.suub.uni-bremen.de/peid=cr-10.1002_jcc.26966&Exemplar=1&LAN=DE A1 Avagliano, Davide A1 Bonfanti, Matteo A1 Nenov, Artur A1 Garavelli, Marco PB Wiley YR 2022 SN 0192-8651 SN 1096-987X JF Journal of Computational Chemistry VO 43 IS 24 SP 1641 OP 1655 LK http://dx.doi.org/https://doi.org/10.1002/jcc.26966 DO https://doi.org/10.1002/jcc.26966 SF ELIB - SuUB Bremen
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