Computational vibrational and electronic spectroscopy of the water nitric oxide complex

Journal of Physical Chemistry A

Volumn 114, Issue 14, 2010, Pages 4835-4842

  Salmi, Teemu ^a   Runeberg, Nino ^a   Halonen, Lauri ^a   Lane, Joseph R ^b,c   Kjaergaard, Henrik G ^b,d  

^a UNIVERSITY OF HELSINKI   (Finland)

^b UNIVERSITY OF OTAGO   (New Zealand)

^c UNIVERSITY OF WAIKATO   (New Zealand)

^d UNIVERSITY OF COPENHAGEN   (Denmark)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO CALCULATIONS; CORRELATION CONSISTENT BASIS SETS; COUPLED-CLUSTER METHODS; ELECTRONIC SPECTROSCOPY; LOCAL MODES; LOWEST ENERGY STRUCTURE; MONOMER UNITS; N-O COMPLEXES; OSCILLATOR STRENGTHS; OVERTONE REGIONS; STRETCHING ENERGY; TRANSITION INTENSITY; VARIATIONAL METHODS; VIBRATIONAL PROBLEMS; VIBRATIONAL TRANSITIONS; VIBRONIC TRANSITION;

NITRIC OXIDE;

MONOMERS;

NITRIC OXIDE; WATER;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; CONFORMATION; ELECTRON; INFRARED SPECTROPHOTOMETRY; VIBRATION;

COMPUTER SIMULATION; ELECTRONS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; NITRIC OXIDE; SPECTROPHOTOMETRY, INFRARED; VIBRATION; WATER;

EID: 77950658605     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp909441u     Document Type: Article

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