Symmetrizer: Algorithmic determination of point groups in nearly symmetric molecules

Journal of Computational Chemistry

Volumn 33, Issue 19, 2012, Pages 1637-1642

  Largent, R Jeffrey ^a   Polik, William F ^a   Schmidt, J R ^b  

^a HOPE COLLEGE   (United States)

^b UNIVERSITY OF WISCONSIN MADISON   (United States)

Author keywords

algorithm; group theory; point group; symmetry; symmetry element

Indexed keywords

BOTTOM UP APPROACH; CONVENTIONAL METHODS; INPUT PARAMETER; MATCHING POINTS; MOST PROBABLE POINT; SYMMETRIC MOLECULES; SYMMETRY DETECTION; TEST MOLECULES; WEB-BASED INTERFACE;

ALGORITHMS; COMPUTATIONAL CHEMISTRY; CRYSTAL SYMMETRY; GROUP THEORY; HYDROGEN INORGANIC COMPOUNDS; MOLECULES; MULTIMEDIA SYSTEMS;

POINT GROUPS;

EID: 84862013785     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.22995     Document Type: Article

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