QSPR modeling of hyperpolarizabilities

Journal of Molecular Modeling

Volumn 13, Issue 9, 2007, Pages 951-963

  Katritzky, Alan R ^a   Pacureanu, Liliana ^a   Dobchev, Dimitar ^a,b   Karelson, Mati ^b,c  

^a University of Florida ^*  (United States)

^b TALLINN UNIVERSITY OF TECHNOLOGY   (Estonia)

^c UNIVERSITY OF TARTU   (Estonia)

Author keywords

CODESSA Pro; Multilinear regression; Polarizability; QSPR

Indexed keywords

2 NITROPHENOL; 3 NITROPHENOL; 4 NITROANILINE; 4 NITROPHENOL; ACETYLENE DERIVATIVE; ACROLEIN DERIVATIVE; ANILINE; ANILINE DERIVATIVE; ANISOLE; BENZALDEHYDE; BENZENE; BENZENE DERIVATIVE; BENZONITRILE; BROMOBENZENE; CHLOROBENZENE; FLUORENE DERIVATIVE; FLUOROBENZENE; IODOBENZENE; NITRILE; NITROBENZENE; ORGANIC COMPOUND; PHENOL; PHENOL DERIVATIVE; POLYENE; QUINOLINE DERIVATIVE; STILBENE DERIVATIVE; STYRENE DERIVATIVE; THIOPHENOL; TOLUENE;

ALGORITHM; ANALYTICAL ERROR; ARTICLE; CALCULATION; COMPUTER PROGRAM; CONTROLLED STUDY; CORRELATION ANALYSIS; DIPOLE; HYPERPOLARIZATION; INTERNAL VALIDITY; LINEAR REGRESSION ANALYSIS; LINEAR SYSTEM; MOLECULAR STABILITY; NORMAL DISTRIBUTION; PREDICTION; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; QUANTUM CHEMISTRY; VALIDATION STUDY;

ALGORITHMS; ELECTRONS; MODELS, CHEMICAL; ORGANIC CHEMICALS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; QUANTUM THEORY;

EID: 34547631302     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-007-0209-4     Document Type: Article

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