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Journal Abstract Search

288 related items for PubMed ID: 24568790

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  • 3. Spectroscopic studies, potential energy surface and molecular orbital calculations of pramipexole.
    Muthu S, Uma Maheswari J, Srinivasan S, Isac paulraj E.
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Nov; 115():64-73. PubMed ID: 23831980
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  • 4. FT-IR, FT-Raman and DFT quantum chemical study on the molecular conformation, vibrational and electronic transitions of 1-(m-(trifluoromethyl)phenyl)piperazine.
    Prabavathi N, Nilufer A, Krishnakumar V.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Nov; 121():483-93. PubMed ID: 24291424
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  • 5. 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; 97():1101-10. PubMed ID: 22929905
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  • 6. Vibrational spectroscopy investigation using ab initio and DFT vibrational analysis of 7-chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazepine-4-oxide.
    Prasath M, Muthu S, Arun Balaji R.
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Sep; 113():224-35. PubMed ID: 23732619
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  • 7. Spectroscopic studies (FTIR, FT-Raman and UV-Visible), normal coordinate analysis, NBO analysis, first order hyper polarizability, HOMO and LUMO analysis of (1R)-N-(Prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-amine molecule by ab initio HF and density functional methods.
    Muthu S, Ramachandran G.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Sep; 121():394-403. PubMed ID: 24280302
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  • 9. Simulation of IR and Raman spectra of p-hydroxyanisole and p-nitroanisole based on scaled DFT force fields and their vibrational assignments.
    Krishnakumar V, Prabavathi N.
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Sep 15; 74(1):154-61. PubMed ID: 19523872
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  • 11. DFT study of conformational and vibrational characteristics of 2-(2-hydroxyphenyl)benzothiazole molecule.
    Pandey U, Srivastava M, Singh RP, Yadav RA.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Aug 14; 129():61-73. PubMed ID: 24727164
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  • 12. Molecular structure, spectroscopic characterization (FT-IR, FT-Raman, UV and NMR), HOMO and LUMO analysis of 3-ethynylthiophene with DFT quantum chemical calculations.
    Karabacak M, Bilgili S, Mavis T, Eskici M, Atac A.
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Nov 14; 115():709-18. PubMed ID: 23886506
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  • 13. Vibrational spectroscopic investigation (FT-IR and FT-Raman) on 1,2-dibromobenzene by HF and hybrid (LSDA and B3LYP) calculations.
    Shakila G, Periandy S, Ramalingam S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Feb 14; 86():449-55. PubMed ID: 22112581
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  • 14. DFT, FT-Raman and FT-IR investigations of 1-cyclobutylpiperazine.
    Bağlayan O, Kaya MF, Parlak C, Senyel M.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 May 14; 90():109-17. PubMed ID: 22326380
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  • 15. Molecular structure and vibrational analysis of 3-Ethylpyridine using ab initio HF and density functional theory (B3LYP) calculations.
    Shakila G, Periandy S, Ramalingam S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Feb 14; 78(2):732-9. PubMed ID: 21183400
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  • 16. FT-IR, FT-Raman spectra, and DFT computations of the vibrational spectra and molecular geometry of chlorzoxazone.
    Yurdakul S, Yurdakul M.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 May 21; 126():339-48. PubMed ID: 24684869
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  • 17. 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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  • 18. Molecular structure and vibrational study of diprotonated guanazolium using DFT calculations and FT-IR and FT-Raman spectroscopies.
    Guennoun L, Zaydoun S, El Jastimi J, Marakchi K, Komiha N, Kabbaj OK, El Hajji A, Guédira F.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Nov 05; 97():975-85. PubMed ID: 22925973
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  • 19. FT-IR spectral, DFT studies and detailed vibrational assignment on N,N',N"-tris(2-aminoethyl)-phosphoric acid triamide.
    Unsalan O, Szolnoki B, Toldy A, Marosi G.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Dec 05; 98():110-5. PubMed ID: 22986050
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  • 20. Molecular structure analysis and spectroscopic characterization of 5-ethyl-5-phenyl-1,3-diazinane-4,6-dione with experimental (FT-IR and FT-Raman) techniques and quantum chemical calculations.
    Paulraj EI, Muthu S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Apr 05; 106():310-20. PubMed ID: 23462668
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