Open Access‘‘Ab initio’’ liquid water
Author(s) -
Kari Laasonen,
Michiel Sprik,
Michele Parrinello,
Roberto Car
Publication year - 1993
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 - 10.1063/1.465574
Subject(s) - delocalized electron , ab initio , homo/lumo , chemistry , basis set , density functional theory , molecular orbital , electronic structure , atomic orbital , valence (chemistry) , atomic physics , molecular physics , chemical physics , computational chemistry , molecule , electron , physics , quantum mechanics , organic chemistry
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