XO: An extended ONIOM method for accurate and efficient geometry optimization of large molecules

Chemical Physics Letters

Volumn 498, Issue 1-3, 2010, Pages 203-208

  Guo, Wenping ^a   Wu, Anan ^a   Xu, Xin ^a,b  

^a XIAMEN UNIVERSITY   (China)

^b FUDAN UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

GEOMETRY OPTIMIZATION; HYBRID SCHEME; INHERENT LIMITATIONS; SUB-SYSTEMS;

SILICATE MINERALS;

EID: 77957018618     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2010.08.033     Document Type: Article

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