Density functional theory study of ultrashort and overlong CC single bonds and the lowest nonbonding C...C distance

Journal of Physical Chemistry A

Volumn 104, Issue 26, 2000, Pages 6271-6276

  Galasso, V ^a   Carmichael, I ^b  

^a UNIVERSITY OF TRIESTE   (Italy)

^b UNIVERSITY OF NOTRE DAME   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; COMPUTATIONAL METHODS; DERIVATIVES; ELECTRON ENERGY LEVELS; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; MOLECULAR ORIENTATION; MOLECULAR STRUCTURE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; ORGANIC COMPOUNDS; PROBABILITY DENSITY FUNCTION; X RAY DIFFRACTION ANALYSIS;

CYCLOBUTAARINE DERIVATIVE; OVERLONG BOND; TETRAVALENT CARBON ATOM; ULTRASHORT BENT BOND; ULTRASHORT UNBENT BOND;

CONFORMATIONS;

EID: 0034228656     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0002291     Document Type: Article

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