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Journal Abstract Search

314 related items for PubMed ID: 25615677

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  • 6. Molecular structure, NLO, MEP, NBO analysis and spectroscopic characterization of 2,5-dimethylanilinium dihydrogen phosphate with experimental (FT-IR and FT-Raman) techniques and DFT calculations.
    Guidara S, Feki H, Abid Y.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Dec 10; 133():856-66. PubMed ID: 25014546
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  • 7. Vibrational spectra, molecular structure, NBO, UV, NMR, first order hyperpolarizability, analysis of 4-Methoxy-4'-Nitrobiphenyl by density functional theory.
    Govindarasu K, Kavitha E.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Mar 25; 122():130-41. PubMed ID: 24299985
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  • 12. Vibrational assignment, HOMO-LUMO and NBO analysis of (2S)-2-[(2-{[(2S)-1-hydroxybutan-2-yl]amino}ethyl)amino]butan-1-ol by density functional theory.
    Rajalakshmi K, Gunasekaran S, Kumaresan S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Sep 15; 130():466-79. PubMed ID: 24813275
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  • 14. Vibrational spectroscopic (FT-IR and FT-Raman) studies, natural bond orbital analysis and molecular electrostatic potential surface of Isoxanthopterin.
    Prabavathi N, Nilufer A, Krishnakumar V.
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Oct 15; 114():101-13. PubMed ID: 23751224
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  • 15. Structure and vibrational spectra of melaminium bis(trifluoroacetate) trihydrate: FT-IR, FT-Raman and quantum chemical calculations.
    Sangeetha V, Govindarajan M, Kanagathara N, Marchewka MK, Gunasekaran S, Anbalagan G.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 May 05; 125():252-63. PubMed ID: 24556134
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  • 16. Molecular structure, vibrational spectra, NBO, UV and first order hyperpolarizability, analysis of 4-Chloro-dl-phenylalanine by density functional theory.
    Govindarasu K, Kavitha E.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Dec 10; 133():799-810. PubMed ID: 25000567
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  • 19. Electronic absorption, vibrational spectra, nonlinear optical properties, NBO analysis and thermodynamic properties of N-(4-nitro-2-phenoxyphenyl) methanesulfonamide molecule by ab initio HF and density functional methods.
    Rajamani T, Muthu S, Karabacak M.
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 May 10; 108():186-96. PubMed ID: 23474478
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