Woodward-Hoffmann rule in the light of the principles of maximum hardness and minimum polarizability: DFT and Ab initio SCF studies

Journal of the American Chemical Society

Volumn 122, Issue 2, 2000, Pages 348-351

  Chattaraj, Pratim K ^a,b   Fuentealba, P ^b   Gómez, Badhin ^b   Contreras, R ^b  

^a INDIAN INSTITUTE OF TECHNOLOGY   (India)

^b UNIVERSITY OF CHILE   (Chile)

Author keywords

[No Author keywords available]

Indexed keywords

1,3 BUTADIENE;

ARTICLE; CHEMICAL STRUCTURE; GEOMETRY; HARDNESS; MATHEMATICAL ANALYSIS; MOLECULAR DYNAMICS; STRUCTURE ANALYSIS;

EID: 0033966232     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja992337a     Document Type: Article

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