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1Academic Journal
المؤلفون: Venkatesan, Perumal, Thamotharan, Subbiah, Ilangovan, Andivelu, Liang, Hongze, Sundius, Tom
المساهمون: Department of Physics
مصطلحات موضوعية: Second Harmonic Generation, Malonic acid half-ester, Hirshfeld surface, Polarizability, First order hyperpolarizability, PIXEL, INTERMOLECULAR INTERACTION ENERGIES, DIRECT NUMERICAL-INTEGRATION, NONLINEAR-OPTICAL MATERIAL, L-PHENYLALANINE, SINGLE-CRYSTAL, VIBRATIONAL-SPECTRA, MOLECULAR-CRYSTALS, 1ST-ORDER HYPERPOLARIZABILITY, ELECTRON-DENSITIES, ORGANIC-MOLECULES, Physical sciences
وصف الملف: application/pdf
Relation: The authors PV and AI thank the DST-India (FIST program) for the use of Bruker SMART APEX-II diffractometer and the 400 MHz NMR facility at the School of Chemistry, Bharathidasan University. ST is highly grateful to the management of SASTRA University for their encouragement and financial support (Prof. TRR fund).; Venkatesan , P , Thamotharan , S , Ilangovan , A , Liang , H & Sundius , T 2016 , ' Crystal structure, Hirshfeld surfaces and DFT computation of NLO active (2E)-2-(ethoxycarbonyl)-3-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino] prop-2-enoic acid ' , Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy , vol. 153 , pp. 625-636 . https://doi.org/10.1016/j.saa.2015.09.002; ORCID: /0000-0002-9639-8433/work/40481801; http://hdl.handle.net/10138/173639; cfac58f7-fcc7-4d5c-b7d7-e78110445ee4; 84943772986; 000365360700084
الاتاحة: http://hdl.handle.net/10138/173639
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المساهمون: Department of Physics
المصدر: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 153:625-636
مصطلحات موضوعية: MOLECULAR-CRYSTALS, PIXEL, Crystal structure, 010402 general chemistry, 114 Physical sciences, 01 natural sciences, Analytical Chemistry, Malonic acid half-ester, Computational chemistry, Polarizability, Instrumentation, Spectroscopy, Basis set, First order hyperpolarizability, 010405 organic chemistry, Chemistry, Hydrogen bond, Hirshfeld surface, Intermolecular force, Atomic and Molecular Physics, and Optics, Second Harmonic Generation, SINGLE-CRYSTAL, 0104 chemical sciences, DIRECT NUMERICAL-INTEGRATION, Crystallography, NONLINEAR-OPTICAL MATERIAL, L-PHENYLALANINE, Molecular vibration, Intramolecular force, ELECTRON-DENSITIES, INTERMOLECULAR INTERACTION ENERGIES, 1ST-ORDER HYPERPOLARIZABILITY, Density functional theory, ORGANIC-MOLECULES, VIBRATIONAL-SPECTRA