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Journal Abstract Search

124 related items for PubMed ID: 12524131

  • 21. Experimental and theoretical investigation of the molecular structure, conformational stability, hyperpolarizability, electrostatic potential, thermodynamic properties and NMR spectra of pharmaceutical important molecule: 4'-methylpropiophenone.
    Karunakaran V, Balachandran V.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Jul 15; 128():1-14. PubMed ID: 24657464
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  • 22. Density functional theory (DFT) and natural bond orbital (NBO) study of vibrational spectra and intramolecular hydrogen bond interaction of L-ornithine-L-aspartate.
    Li L, Wu C, Wang Z, Zhao L, Li Z, Sun C, Sun T.
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Feb 05; 136 Pt B():338-46. PubMed ID: 25448937
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  • 23. DFT, FT-Raman, FT-IR, HOMO-LUMO and NBO studies of 4-Methylmorpholine.
    Balachandran V, Mahalakshmi G, Lakshmi A, Janaki A.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Nov 05; 97():1101-10. PubMed ID: 22929905
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  • 24. Structural, vibrational and theoretical studies of anilinium trichloroacetate: new hydrogen bonded molecular crystal with nonlinear optical properties.
    Tanak H, Pawlus K, Marchewka MK, Pietraszko A.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Jan 24; 118():82-93. PubMed ID: 24041532
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  • 25. Experimental and theoretical investigations of benzamide oxime.
    Arjunan V, Mythili CV, Mageswari K, Mohan S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Jun 24; 79(1):245-53. PubMed ID: 21450516
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  • 26. Vibrational spectroscopic studies of Isoleucine by quantum chemical calculations.
    Moorthi PP, Gunasekaran S, Ramkumaar GR.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Apr 24; 124():365-74. PubMed ID: 24508874
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  • 27. Structural study, NCA, FT-IR, FT-Raman spectral investigations, NBO analysis, thermodynamic functions of N-acetyl-l-phenylalanine.
    Raja B, Balachandran V, Revathi B.
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Mar 05; 138():283-95. PubMed ID: 25498825
    [Abstract] [Full Text] [Related]

  • 28. Studies of the molecular geometry, vibrational spectra, frontier molecular orbital, nonlinear optical and thermodynamics properties of aceclofenac by quantum chemical calculations.
    Suresh S, Gunasekaran S, Srinivasan S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 May 05; 125():239-51. PubMed ID: 24556133
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  • 33. Vibrational frequency analysis, FT-IR, FT-Raman, ab initio, HF and DFT studies, NBO, HOMO-LUMO and electronic structure calculations on pycolinaldehyde oxime.
    Suvitha A, Periandy S, Boomadevi S, Govindarajan M.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Jan 03; 117():216-24. PubMed ID: 23994677
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  • 37. Vibrational spectra and normal coordinate analysis of 2-hydroxy-3-(2-methoxyphenoxy) propyl carbamate.
    Muthu S, Renuga S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Nov 11; 132():313-25. PubMed ID: 24878438
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