Open AccessQM/MM optimization with quantum coupling: Host–guest interactions in a pentacene-doped p-terphenyl crystal
Author(s) -
Andrés I. Bertoni,
Richard M. Fogarty,
Cristián G. Sánchez,
Andrew P. Horsfield
Publication year - 2022
Publication title -
the journal of chemical physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.071
H-Index - 357
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/5.0079788
Subject(s) - oniom , pentacene , dipole , quantum computer , crystal (programming language) , quantum , chemical physics , physics , molecule , materials science , chemistry , quantum mechanics , computer science , thin film transistor , electrode , programming language
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