Effect of basis set superposition error (BSSE) upon ab initio calculations of organic transition states

Journal of Physical Chemistry A

Volumn 105, Issue 10, 2001, Pages 1944-1950

  Kobko, Nadya ^a   Dannenberg, J J ^a  

^a CITY UNIVERSITY OF NEW YORK   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BASIS SET SUPERPOSITION ERROR (BSSE); ORGANIC TRANSITION STATES;

HYDROGEN BONDS; METHANE; POTENTIAL ENERGY; PROPYLENE; SURFACE PROPERTIES; TRANSPORT PROPERTIES;

MOLECULAR DYNAMICS;

EID: 0035868916     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp001970b     Document Type: Article

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