Computational investigation of the vibrational and electronic states of S2N2

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 60, Issue 1-2, 2004, Pages 471-480

  Bridgeman, Adam J ^a   Cunningham, Beth ^a  

^a UNIVERSITY OF HULL   (United Kingdom)

Author keywords

Bond orders; DFT; Excited states; S2N2; TDDFT; Vibrational frequencies

Indexed keywords

CHEMICAL BONDS; COMPUTATIONAL METHODS; ELECTRON TRANSITIONS; GROUND STATE; INFRARED SPECTROSCOPY; MOLECULAR STRUCTURE; MOLECULAR VIBRATIONS; PROBABILITY DENSITY FUNCTION; SINGLE CRYSTALS;

DENSITY FUNCTIONAL THEORY (DFT); MOLECULAR ORBITAL GAP; VIBRATIONAL FREQUENCIES;

SULFUR COMPOUNDS;

NITRITE; NITROGEN; SULFUR;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER PROGRAM; METHODOLOGY; OSCILLOMETRY; SPECTROPHOTOMETRY;

MODELS, MOLECULAR; NITRITES; NITROGEN; OSCILLOMETRY; SOFTWARE; SPECTROPHOTOMETRY; SULFUR;

EID: 0344308471     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1386-1425(03)00252-X     Document Type: Article

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