Pyramidal inversion mechanism of simple chiral and achiral sulfoxides: A theoretical study

Chirality

Volumn 19, Issue 7, 2007, Pages 559-569

  Marom, Hili ^a   Biedermann, P Ulrich ^a   Agranat, Israel ^a  

^a HEBREW UNIVERSITY OF JERUSALEM   (Israel)

Author keywords

Ab initio; Chirality; DFT; Free energy of activation; Racemization; Sulfinyl group; Sulfoxide drugs

Indexed keywords

4,4' DICYANODIPHENYLSULFOXIDE; BENZYLMETHYLSULFOXIDE; BENZYLPHENYLSULFOXIDE; DIMETHYL SULFOXIDE; DIPHENYLSUFOXIDE; METHYL 4 CYANOPHENYLSULFOXIDE; METHYLPHENYLSULFOXIDE; SULFOXIDE; SULFURIC ACID; UNCLASSIFIED DRUG;

AB INITIO CALCULATION; ARTICLE; DENSITY FUNCTIONAL THEORY; ENERGY TRANSFER; GEOMETRY; ORGANIC CHEMISTRY; PRIORITY JOURNAL; RACEMIZATION; THEORETICAL STUDY;

MODELS, MOLECULAR; MOLECULAR CONFORMATION; OMEPRAZOLE; POWDER DIFFRACTION; SOFTWARE; STEREOISOMERISM; SULFOXIDES; THERMODYNAMICS;

EID: 34250825282     PISSN: 08990042     EISSN: 1520636X     Source Type: Journal    
DOI: 10.1002/chir.20417     Document Type: Article

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