Variation of electrophilicity during molecular vibrations and internal rotations

Theoretical Chemistry Accounts

Volumn 113, Issue 5, 2005, Pages 257-266

  Parthasarathi, R ^a   Elango, M ^a   Subramanian, V ^a   Chattaraj, P K ^b  

^a CENTRAL LEATHER RESEARCH INSTITUTE   (India)

^b INDIAN INSTITUTE OF TECHNOLOGY   (India)

Author keywords

DFT; Electrophilicity; Internal rotation; Reactivity descriptor; Vibration

Indexed keywords

ARTICLE; ELECTROCHEMISTRY; HARDNESS; MOLECULAR MECHANICS; PHYSICAL CHEMISTRY; VIBRATION;

EID: 20844452723     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-005-0634-3     Document Type: Article

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