Comparison of experimental and computationally predicted sulfoxide bond dissociation enthalpies

Journal of Physical Chemistry A

Volumn 115, Issue 13, 2011, Pages 2859-2865

  Korang, James ^a   Grither, Whitney R ^a   McCulla, Ryan D ^a  

^a Saint Louis University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACCURATE ESTIMATION; BASIS SETS; BOND DISSOCIATION ENTHALPIES; CCSD; D-FUNCTION; DIVINYL SULFOXIDE; EXPERIMENTAL ERRORS; ISODESMIC; OXYGEN TRANSFER; POPLE-STYLE BASIS; RELATIVE STRENGTH; S-O BONDS; Z LEVEL;

CHEMICAL BONDS; COMPUTATIONAL CHEMISTRY; DISSOCIATION; OXYGEN; SULFUR;

ENTHALPY;

DRUG DERIVATIVE; OXYGEN; SAFROLE; SULFOXIDE; SULFUR;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPARATIVE STUDY; COMPUTER SIMULATION; THERMODYNAMICS;

COMPUTER SIMULATION; MODELS, MOLECULAR; OXYGEN; SAFROLE; SULFUR; THERMODYNAMICS;

EID: 79953267385     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp1109465     Document Type: Article

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