Open AccessBasis set consistent revision of the S22 test set of noncovalent interaction energies
Author(s) -
Tait Takatani,
Edward G. Hohenstein,
Massimo Malagoli,
Michael S. Marshall,
C. David Sherrill
Publication year - 2010
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 - 10.1063/1.3378024
Subject(s) - basis set , benchmark (surveying) , benchmarking , set (abstract data type) , basis (linear algebra) , computation , test set , non covalent interactions , absolute deviation , chemistry , computational chemistry , statistical physics , molecule , mathematics , physics , statistics , computer science , algorithm , hydrogen bond , density functional theory , geometry , geodesy , organic chemistry , marketing , business , programming language , geography
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