Open AccessA polarizable three-layer frozen density embedding/molecular mechanics approach
Author(s) -
Franco Egidi,
Sara Angelico,
Piero Lafiosca,
Tommaso Giovannini,
Chiara Cappelli
Publication year - 2021
Publication title -
the journal of chemical physics
Language(s) - Uncategorized
Resource type - Journals
SCImago Journal Rank - 1.071
H-Index - 357
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/5.0045574
Subject(s) - polarizability , embedding , solvation , density functional theory , formalism (music) , polarizable continuum model , molecular mechanics , molecule , implicit solvation , computational chemistry , aqueous solution , statistical physics , chemical physics , chemistry , physics , molecular physics , materials science , molecular dynamics , quantum mechanics , computer science , art , musical , visual arts , artificial intelligence
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