On the performance of the semiempirical quantum mechanical PM6 and PM7 methods for noncovalent interactions

Chemical Physics Letters

Volumn 568-569, Issue , 2013, Pages 161-166

  Hostaš, Jiří ^a   Řezáč, Jan ^a   Hobza, Pavel ^a,b  

^a INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY   (Czech Republic)

^b PALACKÝ UNIVERSITY   (Czech Republic)

Author keywords

[No Author keywords available]

Indexed keywords

CONFORMATIONAL CHANGE; HALOGEN BONDS; INTERACTION ENERGIES; MOLECULAR PROPERTIES; NON-COVALENT INTERACTION; QUANTUM MECHANICAL; SEMI-EMPIRICAL; SEMI-EMPIRICAL METHODS;

HYDROGEN BONDS; QUANTUM THEORY;

IONS;

EID: 84876408960     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2013.02.069     Document Type: Article

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