Optimization of the Lennard-Jones parameters for a combined ab initio quantum mechanical and molecular mechanical potential using the 3-21G basis set

Journal of Computational Chemistry

Volumn 17, Issue 4, 1996, Pages 386-395

  Freindorf, Marek ^a,b   Gao, Jiali ^a  

^a UNIVERSITY AT BUFFALO   (United States)

^b JAGIELLONIAN UNIVERSITY   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001041299     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1096-987X(199603)17:4<386::AID-JCC1>3.0.CO;2-Q     Document Type: Article

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