Ground and valence excited states of C2N and CN2 transients: ab initio geometries, electronic structures, and molecular properties

Journal of Chemical Physics

Volumn 114, Issue 4, 2001, Pages 1589-1600

  Rajendra, Pd ^a   Chandra, P ^a  

^a BANARAS HINDU UNIVERSITY   (India)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRIC FIELD EFFECTS; ELECTRON ENERGY LEVELS; ELECTRONIC STRUCTURE; GROUND STATE; MOLECULAR STRUCTURE; MOLECULAR VIBRATIONS; NUMERICAL ANALYSIS; PERTURBATION TECHNIQUES; TENSORS;

DIPOLE MOMENT; ELECTRIC FIELD GRADIENT; EXCITATION ENERGIES; FULL VALENCE COMPLETE ACTIVE SPACE METHOD; MOLECULAR PROPERTIES; MULTIREFERENCE SINGLES AND DOUBLES CONFIGURATION INTERACTION; RENNER-TELLER INTERACTION PARAMETER; VALENCE EXCITED STATES; WAVE FUNCTION;

FREE RADICALS;

EID: 0003176192     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1333701     Document Type: Article

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