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202 related items for PubMed ID: 25137250

  • 1. Twisted intramolecular charge transfer and its contribution to the NLO activity of Diglycine Picrate: a vibrational spectroscopic study.
    Alen S, Sajan D, Umadevi T, Němec I, Baburaj MS, Bena Jothy V, Selin Joy BH.
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Jan 25; 135():720-31. PubMed ID: 25137250
    [Abstract] [Full Text] [Related]

  • 2. Vibrational spectral studies and non-linear optical properties of L-leucine L-leucinium picrate: a Density Functional Theory approach.
    Guidara S, Feki H, Abid Y.
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Nov 25; 115():437-44. PubMed ID: 23867646
    [Abstract] [Full Text] [Related]

  • 3. Molecular structure and vibrational spectral investigation of charge transfer NLO crystal naphthalene picrate for THz application.
    Amalanathan M, Hubert Joe I, Rastogi VK.
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 May 25; 108():256-67. PubMed ID: 23501937
    [Abstract] [Full Text] [Related]

  • 4. Vibrational spectroscopic study, charge transfer interaction and nonlinear optical properties of L-asparaginium picrate: a density functional theoretical approach.
    Elleuch N, Amamou W, Ben Ahmed A, Abid Y, Feki H.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Jul 15; 128():781-9. PubMed ID: 24704485
    [Abstract] [Full Text] [Related]

  • 5. Electronic structure, vibrational spectral and intervening orbital interactions studies of NLO material: guanidinium 4-nitrobenzoate.
    Sasikala V, Sajan D, Sabu KJ, Arumanayagam T, Murugakoothan P.
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Mar 15; 139():555-72. PubMed ID: 25600681
    [Abstract] [Full Text] [Related]

  • 6. An experimental and theoretical investigation of Acenaphthene-5-boronic acid: conformational study, NBO and NLO analysis, molecular structure and FT-IR, FT-Raman, NMR and UV spectra.
    Karabacak M, Sinha L, Prasad O, Asiri AM, Cinar M.
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Nov 15; 115():753-66. PubMed ID: 23892116
    [Abstract] [Full Text] [Related]

  • 7. FTIR, FT-RAMAN, NMR, spectra, normal co-ordinate analysis, NBO, NLO and DFT calculation of N,N-diethyl-4-methylpiperazine-1-carboxamide molecule.
    Muthu S, Elamurugu Porchelvi E.
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Nov 15; 115():275-86. PubMed ID: 23845985
    [Abstract] [Full Text] [Related]

  • 8. Vibrational spectra, optical properties, NBO and HOMO-LUMO analysis of L-Phenylalanine L-Phenylalaninium Perchlorate: DFT calculations.
    Elleuch N, Ben Ahmed A, Feki H, Abid Y, Minot C.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Nov 15; 121():129-38. PubMed ID: 24231749
    [Abstract] [Full Text] [Related]

  • 9. Intramolecular charge delocalization and nonlinear optical properties of push-pull chromophore 1-(4-N,N-dimethylaminopyridinium) acetic acid bromide monohydrate from vibrational spectra.
    John CJ, Amalanathan M, Sajan D, Lakshmi KU, Joe IH.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Jan 15; 78(1):264-72. PubMed ID: 21036101
    [Abstract] [Full Text] [Related]

  • 10. Vibrational spectra and natural bond orbital analysis of organic crystal L-prolinium picrate.
    Edwin B, Amalanathan M, Hubert Joe I.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Oct 15; 96():10-7. PubMed ID: 22647437
    [Abstract] [Full Text] [Related]

  • 11. Growth and vibrational spectral investigation of nonlinear optical crystal L-Argininum Perchlorate-DFT study.
    Manimaran D, Jesintha John C, Rastogi VK, Hubert Joe I.
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 May 15; 109():173-8. PubMed ID: 23523760
    [Abstract] [Full Text] [Related]

  • 12. FT-IR, FT-Raman, NMR studies and ab initio-HF, DFT-B3LYP vibrational analysis of 4-chloro-2-fluoroaniline.
    Arivazhagan M, Anitha Rexalin D.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Oct 15; 96():668-76. PubMed ID: 22885079
    [Abstract] [Full Text] [Related]

  • 13. Normal coordinate analysis and vibrational spectroscopy (FT-IR and FT-Raman) studies of 5-methyl-N-[4-(trifluoromethyl) phenyl]-isoxazole-4-carboxamide using density functional method.
    Shahidha R, Muthu S, Elamurugu Porchelvi E, Govindarajan M.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Nov 11; 132():142-51. PubMed ID: 24858355
    [Abstract] [Full Text] [Related]

  • 14. Spectroscopic investigations, quantum chemical calculations, HOMO-LUMO and NBO/NLMO analysis of 4-pyridinecarbohydrazide.
    Gobinath E, John Xavier R.
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Nov 11; 115():815-22. PubMed ID: 23892123
    [Abstract] [Full Text] [Related]

  • 15. Study of conformational stability, structural, electronic and charge transfer properties of cladrin using vibrational spectroscopy and DFT calculations.
    Singh S, Singh H, Srivastava A, Tandon P, Sinha K, Bharti P, Kumar S, Kumar P, Maurya R.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Nov 11; 132():615-28. PubMed ID: 24892542
    [Abstract] [Full Text] [Related]

  • 16. Comparative vibrational spectroscopic studies, HOMO-LUMO, NBO analyses and thermodynamic functions of p-cresol and 2-methyl-p-cresol based on DFT calculations.
    Balachandran V, Murugan M, Nataraj A, Karnan M, Ilango G.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Nov 11; 132():538-49. PubMed ID: 24892532
    [Abstract] [Full Text] [Related]

  • 17. Quantum chemical studies, vibrational analysis, molecular structure, first order hyper polarizability, NBO and HOMO-LUMO analysis of 3-hydroxybenzaldehyde and its cation.
    Muthu S, Prasath M.
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Nov 11; 115():789-99. PubMed ID: 23892343
    [Abstract] [Full Text] [Related]

  • 18. 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 11; 108():186-96. PubMed ID: 23474478
    [Abstract] [Full Text] [Related]

  • 19. Structure and spectral properties of L-histidinium dipicrate dihydrate.
    Sethuram M, Dhandapani M, Sethu Raman M, Amirthaganesan G, Senthilkumar K.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Jan 24; 118():102-11. PubMed ID: 24044988
    [Abstract] [Full Text] [Related]

  • 20. Vibrational spectroscopic studies of an organic non-linear optical crystal 8-hydroxyquinolinium picrate.
    Krishna Kumar V, Nagalakshmi R.
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 Apr 24; 66(4-5):924-34. PubMed ID: 17029942
    [Abstract] [Full Text] [Related]

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