Ab initio vs molecular mechanics thermochemistry: Homocubanes

Journal of Chemical Information and Computer Sciences

Volumn 44, Issue 3, 2004, Pages 903-906

  Novak, Igor ^a  

^a NATIONAL UNIVERSITY OF SINGAPORE   (Singapore)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIZATION; COMPUTATIONAL METHODS; DATABASE SYSTEMS; ENTHALPY; ISOMERIZATION; MOLECULAR STRUCTURE; OPTIMIZATION; ORGANIC POLYMERS; POLYCYCLIC AROMATIC HYDROCARBONS; RELIABILITY; STRAIN;

HOMOCUBANES; MOLECULAR MECHANICS; STRAIN ENERGIES; THERMOCHEMISTRY;

MOLECULAR DYNAMICS;

EID: 2942730021     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci0300285     Document Type: Article

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