Open AccessCommunication: Electronic structure of the solvated chloride anion from first principles molecular dynamics
Author(s) -
Cui Zhang,
Tuan Anh Pham,
François Gygi,
Giulia Galli
Publication year - 2013
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 - 10.1063/1.4804621
Subject(s) - molecular dynamics , ion , chloride , electronic structure , valence (chemistry) , chemistry , perturbation theory (quantum mechanics) , density functional theory , molecular orbital , chemical physics , computational chemistry , perturbation (astronomy) , molecular physics , atomic physics , molecule , physics , quantum mechanics , organic chemistry
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