Ab initio double-ζ (D95) valence bond calculations for the ground states of S 2N 2 and S 4 2+

Journal of Physical Chemistry A

Volumn 108, Issue 31, 2004, Pages 6527-6531

  Klapötke, Thomas M ^a   Li, Jiabo ^b   Harcourt, Richard D ^c  

^a UNIVERSITY OF MUNICH   (Germany)

^b SciNet Technologies   (United States)

^c UNIVERSITY OF MELBOURNE   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

LEWIS STRUCTURES; MOLECULAR ORBITAL; SINGLET DIRADICAL STRUCTURE; VALENCE BOND;

ALGORITHMS; BONDING; CHEMICAL BONDS; COUPLED CIRCUITS; ELECTRONS; GROUND STATE; NITROGEN COMPOUNDS; VARIATIONAL TECHNIQUES;

SULFUR COMPOUNDS;

EID: 4143148348     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp049795c     Document Type: Article

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