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2014•Spectrochimica Acta Part A Molecular and Biomolecular SpectroscopyRequires access

Spectroscopic (FT-IR, FT-Raman), first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis of 1,7,8,9-tetrachloro-10,10-dimethoxy-4-[3-(4-phenylpiperazin-1-yl)propyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione by density functional methods

R. RENJITH, Y. Sheena Mary, C. Yohannan Panicker, Hema Tresa Varghese, M. Pakosinska-Parys, Christian Van Alsenoy, T.K. Manojkumar

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Key concepts: Hyperpolarizability, Natural bond orbital, HOMO/LUMO, Chemistry, Fourier transform infrared spectroscopy, Raman spectroscopy, Computational chemistry, Organic chemistry

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Spectroscopic (FT-IR, FT-Raman), first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis of 1,7,8,9-tetrachloro-10,10-dimethoxy-4-[3-(4-phenylpiperazin-1-yl)propyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione by density functional methods — Research Paper | ScholarLens