On the use of the Boys-Bernardi function counterpoise procedure to correct barrier heights for basis set superposition error

Journal of Molecular Structure: THEOCHEM

Volumn 537, Issue 1, 2001, Pages 245-251

  Sordo, J A ^a  

^a UNIVERSITY OF OVIEDO   (Spain)

Author keywords

Ab initio calculations; Balanced basis sets; Basis set superposition error; Function counterpoise procedure

Indexed keywords

ALKADIENE; CARBON; ETHANE; FLUORINE; FLUOROMETHANE; HYDROGEN; MONOMER;

ALGORITHM; ARTICLE; CALCULATION; ENERGY; ERROR; ROTATION; TECHNIQUE;

EID: 0035848468     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(00)00681-3     Document Type: Article

References (11)