Ab initio molecular orbitals study of the conformational preference in α-cyano-α-fluorophenylacetic acid ester

Journal of Organic Chemistry

Volumn 72, Issue 21, 2007, Pages 7923-7929

  Sahnoun, Riadh ^a   Fujimura, Yuichi ^a   Kabuto, Kuninobu ^a   Takeuchi, Yoshio ^b   Noyori, Ryoji ^c  

^a TOHOKU UNIVERSITY   (Japan)

^b UNIVERSITY OF TOYAMA   (Japan)

^c NAGOYA UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ENERGY DIFFERENCE; FLUOROPHENYLACETIC ACID; METHYL ESTER;

ACETIC ACID; CHEMICAL BONDS; COMPUTATIONAL METHODS; ESTERS; MOLECULAR ORBITALS;

CONFORMATIONS;

ALPHA CYANO ALPHA FLUORO 4 TOLYLACETIC ACID; ALPHA CYANO ALPHA FLUOROPHENYLACETIC ACID ESTER; ESTER DERIVATIVE; FLUORINE DERIVATIVE; NITRILE; PHENYLACETIC ACID DERIVATIVE; UNCLASSIFIED DRUG;

AB INITIO CALCULATION; ARTICLE; CHEMICAL BOND; CONFORMATION; CONJUGATION; ENERGY; MOLECULAR STABILITY; REACTION ANALYSIS; STEREOCHEMISTRY;

ACETIC ACIDS; ESTERS; HYDROCARBONS, FLUORINATED; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR CONFORMATION; THERMODYNAMICS; TOLUENE;

EID: 35348820830     PISSN: 00223263     EISSN: None     Source Type: Journal    
DOI: 10.1021/jo071112c     Document Type: Article

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