An accurate description of the Bergman reaction using restricted and unrestricted DFT: Stability test, spin density, and on-top pair density 1

Journal of Physical Chemistry A

Volumn 104, Issue 8, 2000, Pages 1748-1761

  Gräfenstein, Jürgen ^a   Hjerpe, Angelica M ^a   Kraka, Elfi ^a   Cremer, Dieter ^a  

^a UNIVERSITY OF GOTHENBURG   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0038252597     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp993122q     Document Type: Article

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