Vibrational analysis of i2.-nCO2 clusters (n = 1-10): A first principle study on microsolvation

Journal of Physical Chemistry A

Volumn 112, Issue 47, 2008, Pages 12037-12044

  Pathak, A K ^a   Mukherjee, T ^a   Maity, D K ^a  

^a BHABHA ATOMIC RESEARCH CENTRE   (India)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC PHYSICS; ATOMS; BENDING (DEFORMATION); CARBON DIOXIDE; ELECTRONIC STRUCTURE; FLOW INTERACTIONS; MOLECULES; NEGATIVE IONS; PROBABILITY DENSITY FUNCTION; RAMAN SCATTERING; RAMAN SPECTROSCOPY; SIMULATED ANNEALING; SOLVENTS; STRUCTURAL OPTIMIZATION;

ANIONIC CLUSTERS; BASIS FUNCTIONS; BENDING MODES; CHARGED SOLUTES; COUPLED CLUSTERS; DIATOMIC SOLUTES; ENERGY PARAMETERS; EXCESS ELECTRONS; FIRST PRINCIPLES; FREE SOLVENTS; GEOMETRY OPTIMIZATIONS; GLOBAL MINIMUMS; INTERACTION ENERGIES; IR AND RAMAN SPECTRUMS; IR SPECTRUM; MICROSOLVATION; MINIMUM ENERGY STRUCTURES; MOLECULAR CLUSTERS; MP2 LEVELS; QUASI NEWTONS; RAMAN BANDS; RAMAN SPECTRUMS; SEARCH STRATEGIES; SOLVATED CLUSTERS; STRUCTURE CALCULATIONS; VIBRATIONAL ANALYSIS; VIBRATIONAL BANDS;

CARBON MONOXIDE;

EID: 57449097598     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp805348q     Document Type: Article

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