Molecular structure, vibrational spectra and HOMO, LUMO analysis of 4-piperidone by density functional theory and ab initio Hartree-Fock calculations

Author: Sundaraganesan N.   Elango G.   Meganathan C.   Karthikeyan B.   Kurt M.  

Publisher: Taylor & Francis Ltd

ISSN: 0892-7022

Source: Molecular Simulation, Vol.35, Iss.9, 2009-08, pp. : 705-713

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