The Sequential qm/mm Method and its Applications to Solvent Effects in Electronic and Structural Properties of Solutes

Challenges and Advances in Computational Chemistry and Physics

Volumn 6, Issue , 2008, Pages 159-189

  Coutinho, Kaline ^a   Rivelino, Roberto ^b   Georg, Herbert C ^a   Canuto, Sylvio ^a  

^a UNIVERSITY OF SÃO PAULO   (Brazil)

^b FEDERAL UNIVERSITY OF BAHIA   (Brazil)

Author keywords

High occupied molecular orbital; Lower unoccupied molecular orbital; Monte carlo; Polarizable continuum model; Radial distribution function

Indexed keywords

EID: 85073227635     PISSN: 25424491     EISSN: 25424483     Source Type: Book Series    
DOI: 10.1007/978-1-4020-8270-2_7     Document Type: Chapter

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