On the determination of bond lengths by ab initio methods: Estimation of errors and some improvements

Journal of Molecular Structure: THEOCHEM

Volumn 624, Issue 1-3, 2003, Pages 239-249

  Sanchez Marquez, J ^a   Fernandez Nunez, M ^a  

^a UNIVERSITY OF CÁDIZ   (Spain)

Author keywords

Bond length; Density functional theory; Hartree Fock; Moeller Plesset; Molecular geometry

Indexed keywords

AB INITIO CALCULATION; ARTICLE; CALCULATION; CHEMICAL BOND; ERROR; GEOMETRY; QUANTUM CHEMISTRY; STATISTICAL ANALYSIS;

EID: 0037466286     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(02)00793-5     Document Type: Article

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