Density functional studies on the lone pair effect of the trivalent group (V) elements: I. Electronic structure, vibronic coupling, and chemical criteria for the occurrence of lone pair distortions in AX3 molecules (A=N to Bi; X=H, and F to I)

Journal of Physical Chemistry A

Volumn 105, Issue 22, 2001, Pages 5450-5467

  Atanasov, M ^a,b   Reinen, D ^a  

^a PHILIPPS UNIVERSITY MARBURG   (Germany)

^b INSTITUTE OF GENERAL AND INORGANIC CHEMISTRY   (Bulgaria)

Author keywords

[No Author keywords available]

Indexed keywords

LONE PAIR EFFECT;

ELECTRONIC STRUCTURE; PROBABILITY DENSITY FUNCTION; STABILIZATION; TOPOLOGY;

STEREOCHEMISTRY;

EID: 0035822192     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp004511j     Document Type: Article

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