Ab initio studies on the structures, vertical electron detachment energies, and fragmentation energies of CnB- clusters

Journal of Physical Chemistry A

Volumn 101, Issue 4, 1997, Pages 591-596

  Zhan, Chang Guo ^a,b,c   Iwata, Suehiro ^a  

^a INSTITUTE FOR MOLECULAR SCIENCE   (Japan)

^b CENTRAL CHINA NORMAL UNIVERSITY   (China)

^c UNIVERSITY OF NOTRE DAME   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; CARBON INORGANIC COMPOUNDS; DIFFUSION; ELECTRON ENERGY LEVELS; ELECTRONIC DENSITY OF STATES; ELECTRONIC STRUCTURE; MOLECULAR VIBRATIONS; OPTIMIZATION; PERTURBATION TECHNIQUES; POLARIZATION;

ELECTRON CORRELATION EFFECT; FRAGMENTATION ENERGIES; POLARIZATION FUNCTIONS; VERTICAL ELECTRON DETACHMENT ENERGIES;

MOLECULAR DYNAMICS;

EID: 0030822392     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9619494     Document Type: Article

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