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410 related items for PubMed ID: 24945859

  • 1. Vibrational spectra (FT-IR and FT-Raman), molecular structure, natural bond orbital, and TD-DFT analysis of L-Asparagine Monohydrate by Density Functional Theory approach.
    Sylvestre S, Sebastian S, Edwin S, Amalanathan M, Ayyapan S, Jayavarthanan T, Oudayakumar K, Solomon S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Dec 10; 133():190-200. PubMed ID: 24945859
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  • 2. Vibrational spectra, molecular structure, natural bond orbital, first order hyperpolarizability, TD-DFT and thermodynamic analysis of 4-amino-3-hydroxy-1-naphthalenesulfonic acid by DFT approach.
    Sebastian S, Sylvestre S, Sundaraganesan N, Amalanathan M, Ayyapan S, Oudayakumar K, Karthikeyan B.
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Apr 15; 107():167-78. PubMed ID: 23416921
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  • 11. Vibrational spectra, NBO, HOMO-LUMO and conformational stability studies of 4-hydroxythiobenzamide.
    Sambathkumar K.
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Aug 05; 147():51-66. PubMed ID: 25827766
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  • 12. 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 05; 108():186-96. PubMed ID: 23474478
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  • 13. Quantum mechanical and spectroscopic (FT-IR, 13C, 1H NMR and UV) investigations of potent antiepileptic drug 1-(4-chloro-phenyl)-3-phenyl-succinimide.
    Vitnik VD, Vitnik ŽJ, Banjac NR, Valentić NV, Ušćumlić GS, Juranić IO.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Jan 03; 117():42-53. PubMed ID: 23981413
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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 03; 114():101-13. PubMed ID: 23751224
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  • 19. FT-IR, FT-Raman spectra and ab initio HF and DFT calculations of 7-chloro-5-(2-chlorophenyl)-3-hydroxy-2,3-dihydro-1H-1,4-benzodiazepin-2-one.
    Muthu S, Prasath M, Paulraj EI, Balaji RA.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Oct 03; 120():185-94. PubMed ID: 24177883
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