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"Automatized protocol and interface to simulate QM/MM time-resolved ..."

Davide Avagliano et al. (2022)

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DOI: 10.1002/JCC.26966

access: open

type: Journal Article

metadata version: 2022-10-24

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  - journals/jcc/AvaglianoBNG22
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  - https://dblp.org/rec/journals/jcc/AvaglianoBNG22
Davide Avagliano, Matteo Bonfanti, Artur Nenov, Marco Garavelli:
Automatized protocol and interface to simulate QM/MM time-resolved transient absorption at TD-DFT level with COBRAMM. J. Comput. Chem. 43(24): 1641-1655 (2022)

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