An application of QM-QSAR to predict and rationalize the refractive index of a wide variety of simple organic/organosilicon molecules

QSAR and Combinatorial Science

Volumn 25, Issue 4, 2006, Pages 342-349

  Holder, Andrew J ^a   Ye, Lin ^a   Eick, J David ^a   Chappelow, Cecil C ^b  

^a UNIVERSITY OF MISSOURI KANSAS CITY   (United States)

^b MIDWEST RESEARCH INSTITUTE   (United States)

Author keywords

Dental material; Optical properties; QSAR; Refractive index; SAM1; Semiempirical

Indexed keywords

COMPUTATIONAL CHEMISTRY; DENTAL COMPOSITES; MOLECULAR GRAPHICS; MOLECULES;

DENTAL RESTORATIVE MATERIALS; INDEX VALUES; LIGHT PULSE; ORGANICS; ORGANOSILICONES; QSAR; SAM1; SEMI-EMPIRICAL; SIMPLE++; TRAINING SETS;

REFRACTIVE INDEX;

CARBON; ORGANIC COMPOUND; ORGANOSILICON DERIVATIVE;

ARTICLE; POLARIZATION; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; QUANTUM MECHANICS; REFRACTION INDEX; STATISTICAL ANALYSIS;

EID: 33646228158     PISSN: 1611020X     EISSN: 16110218     Source Type: Journal    
DOI: 10.1002/qsar.200510178     Document Type: Article

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