Density functional theory study of the isomers of C6N

Journal of Physical Chemistry A

Volumn 106, Issue 16, 2002, Pages 4240-4244

  Chuchev, K ^a   BelBruno, J J ^a  

^a Dartmouth College   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CYCLIC ISOMER; CYCLOPROPANE RING; DENSITY FUNCTIONAL THEORY; ELECTRON AFFINITY; EQUILIBRIUM DIPOLE MOMENT; IONIZATION ENERGY;

AROMATIC COMPOUNDS; CHEMICAL BONDS; COMPUTER SIMULATION; ELECTRONIC DENSITY OF STATES; FREQUENCIES; GROUND STATE; IONIZATION; ISOMERS; MOLECULAR STRUCTURE; PROBABILITY DENSITY FUNCTION;

CARBON NITRIDE;

EID: 0037172163     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp014468f     Document Type: Article

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