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An algebraic approach to the comparative study of the vibrational spectra of monofluoroacetylene (HCCF) and deuterated acetylene (HCCD)
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2008
Year
Spectral TheoryEngineeringOrganic ChemistryAlgebraic ApproachLocal HamiltonianComputational ChemistryChemistrySpectroscopic PropertySpectra-structure CorrelationLie AlgebraicPhysicsPhysical ChemistryQuantum ChemistryComparative StudyVibrational SpectraLocal Mode AnalysisNatural SciencesSpectroscopySpectral Analysis
Abstract Using the Lie algebraic method the vibrational energy levels of HCCF and HCCD are calculated for 102 and 110 vibrational bands, respectively, using the local Hamiltonian. A comparative study is made between the two. Better results are obtained than those published earlier from local mode analysis. Keywords: vibrational spectraLie algebraHCCFHCCD Acknowledgements Nirmal Kumar Sarkar would like to thank the University Grants Commission, India for providing partial financial assistance for this study. He also would like to thank S. Oss, N. Manini and R. Lemus for providing necessary cooperation for this study. Ramendu Bhattacharjee would like to thank the DST, Government of India for supporting the work.
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