Basis set and method dependence in quantum theory of atoms in molecules calculations for covalent bonds

Journal of Physical Chemistry A

Volumn 114, Issue 47, 2010, Pages 12498-12505

  Jabłoński, Mirosław ^a   Palusiak, Marcin ^b  

^a NICOLAUS COPERNICUS UNIVERSITY   (Poland)

^b UNIVERSITY OF LODZ   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

B3LYP CALCULATIONS; BASIS SETS; HARTREE-FOCK; QUANTUM THEORY OF ATOMS IN MOLECULES;

QUANTUM THEORY;

DENSITY FUNCTIONAL THEORY;

EID: 78649529632     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp106740e     Document Type: Article

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