On the performance of semiempirical MO theory for dipole moments of dye molecules

Journal of Molecular Modeling

Volumn 7, Issue 10, 2001, Pages 384-391

  Yatsenko, Alexander V ^a   Paseshnichenko, Ksenia A ^a  

^a MOSCOW STATE UNIVERSITY   (Russian Federation)

Author keywords

Dipole moments; Dyes; Semiempirical methods

Indexed keywords

DYE;

AB INITIO CALCULATION; ACCURACY; ARTICLE; CALCULATION; CHEMICAL ANALYSIS; CHEMICAL STRUCTURE; CONTROLLED STUDY; DIPOLE; EMPIRICISM; INTERMETHOD COMPARISON; PERFORMANCE; PRIORITY JOURNAL; THEORY;

EID: 0035789751     PISSN: 16102940     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00894-001-0052-y     Document Type: Article

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