Conformational analysis and comparison between theoretical and experimental vibration spectra for isocyanate species on Ag/Al2O 3 catalyst

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 61, Issue 6, 2005, Pages 1233-1238

  Gao, Hongwei ^a   He, Hong ^a  

^a RESEARCH CENTER FOR ECO ENVIRONMENTAL SCIENCES   (China)

Author keywords

DFT; DRIFTS; NCO intermediate; Structure; Vibrational spectrum

Indexed keywords

ALUMINUM COMPOUNDS; CATALYSTS; COMPUTER SIMULATION; CONFORMATIONS; ESTIMATION; FOURIER TRANSFORM INFRARED SPECTROSCOPY; MASS SPECTROMETRY; MATHEMATICAL MODELS; PROBABILITY DENSITY FUNCTION; PYROLYSIS; REACTION KINETICS; SILVER; SURFACE CHEMISTRY;

DRIFTS; ISOCYANATE (NCO) INTERMEDIATES; STRUCTURES; VIBRATION SPECTRUM;

NITROGEN COMPOUNDS;

ALUMINUM OXIDE; DISILVER OXIDE; ISOCYANIC ACID DERIVATIVE; OXIDE; SILVER DERIVATIVE;

ARTICLE; CATALYSIS; CHEMICAL MODEL; CHEMISTRY; COMPARATIVE STUDY; MASS SPECTROMETRY; THEORETICAL MODEL; VIBRATION;

ALUMINUM OXIDE; CATALYSIS; ISOCYANATES; MASS SPECTROMETRY; MODELS, CHEMICAL; MODELS, THEORETICAL; OXIDES; SILVER COMPOUNDS; VIBRATION;

EID: 14044264785     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2004.06.048     Document Type: Article

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