BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

358 related articles for article (PubMed ID: 22516115)

  • 1. Vibrational spectroscopic studies, NLO, HOMO-LUMO and electronic structure calculations of α,α,α-trichlorotoluene using HF and DFT.
    Govindarajan M; Karabacak M; Periandy S; Xavier S
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Aug; 94():53-64. PubMed ID: 22516115
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Spectroscopic (infrared, Raman, UV and NMR) analysis, Gaussian hybrid computational investigation (MEP maps/HOMO and LUMO) on cyclohexanone oxime.
    Ramalingam S; Karabacak M; Periandy S; Puviarasan N; Tanuja D
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Oct; 96():207-20. PubMed ID: 22683556
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Spectroscopic properties, NLO, HOMO-LUMO and NBO analysis of 2,5-Lutidine.
    Govindarajan M; Karabacak M
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Oct; 96():421-35. PubMed ID: 22722076
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Spectroscopic (FT-IR, FT-Raman, UV and NMR) investigation and NLO, HOMO-LUMO, NBO analysis of organic 2,4,5-trichloroaniline.
    Govindarajan M; Karabacak M; Periandy S; Tanuja D
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Nov; 97():231-45. PubMed ID: 22765942
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Spectroscopic (FT-IR/FT-Raman) and computational (HF/DFT) investigation and HOMO/LUMO/MEP analysis on 2-amino-4-chlorophenol.
    Ramalingam S; Periandy S; Karabacak M; Karthikeyan N
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Mar; 104():337-51. PubMed ID: 23274261
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Molecular structure, vibrational analysis (FT-IR, FT-Raman), NMR, UV, NBO and HOMO-LUMO analysis of N,N-Diphenyl Formamide based on DFT calculations.
    Mathammal R; Monisha NR; Yasaswini S; Krishnakumar V
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Mar; 139():521-32. PubMed ID: 25579654
    [TBL] [Abstract][Full Text] [Related]  

  • 7. FT-IR and FT-Raman spectra, thermo dynamical behavior, HOMO and LUMO, UV, NLO properties, computed frequency estimation analysis and electronic structure calculations on α-bromotoluene.
    Govindarajan M; Periandy S; Carthigayen K
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Nov; 97():411-22. PubMed ID: 22820044
    [TBL] [Abstract][Full Text] [Related]  

  • 8. 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; 115():275-86. PubMed ID: 23845985
    [TBL] [Abstract][Full Text] [Related]  

  • 9. 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; 117():216-24. PubMed ID: 23994677
    [TBL] [Abstract][Full Text] [Related]  

  • 10. FT-IR, FT-Raman and UV spectral investigation: computed frequency estimation analysis and electronic structure calculations on chlorobenzene using HF and DFT.
    Govindarajan M; Karabacak M; Udayakumar V; Periandy S
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Mar; 88():37-48. PubMed ID: 22197345
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Analysis of vibrational spectra (FT-IR and FT-Raman) and nonlinear optical properties of organic 2-chloro-p-xylene.
    Govindarajan M; Karabacak M
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Aug; 94():36-47. PubMed ID: 22510490
    [TBL] [Abstract][Full Text] [Related]  

  • 12. 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; 132():538-49. PubMed ID: 24892532
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Spectroscopic (FT-IR, FT-Raman, NMR and UV-Visible) and quantum chemical studies of molecular geometry, Frontier molecular orbital, NLO, NBO and thermodynamic properties of salicylic acid.
    Suresh S; Gunasekaran S; Srinivasan S
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Nov; 132():130-41. PubMed ID: 24858354
    [TBL] [Abstract][Full Text] [Related]  

  • 14. 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; 121():394-403. PubMed ID: 24280302
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Vibrational analysis using FT-IR, FT-Raman spectra and HF-DFT methods and NBO, NLO, NMR, HOMO-LUMO, UV and electronic transitions studies on 2,2,4-trimethyl pentane.
    Suvitha A; Periandy S; Govindarajan M; Gayathri P
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Mar; 138():900-12. PubMed ID: 25459692
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Experimental and theoretical (FT-IR, FT-Raman, UV-vis, NMR) spectroscopic analysis and first order hyperpolarizability studies of non-linear optical material: (2E)-3-[4-(methylsulfanyl) phenyl]-1-(4-nitrophenyl) prop-2-en-1-one using density functional theory.
    Kumar A; Deval V; Tandon P; Gupta A; Deepak D'silva E
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Sep; 130():41-53. PubMed ID: 24762572
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Spectroscopic and quantum chemical analysis of Isonicotinic acid methyl ester.
    Shoba D; Periandy S; Govindarajan M; Gayathri P
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Feb; 136 Pt B():852-63. PubMed ID: 25459608
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Vibrational spectroscopic [FT-IR, FT-Raman] investigation on (2,4,5-Trichlorophenoxy) Acetic acid using computational [HF and DFT] analysis.
    Karthikeyan N; Joseph Prince J; Ramalingam S; Periandy S
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Apr; 124():165-77. PubMed ID: 24486865
    [TBL] [Abstract][Full Text] [Related]  

  • 19. NBO, HOMO-LUMO, UV, NLO, NMR and vibrational analysis of veratrole using FT-IR, FT-Raman, FT-NMR spectra and HF-DFT computational methods.
    Suvitha A; Periandy S; Gayathri P
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Mar; 138():357-69. PubMed ID: 25514662
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Molecular structure, vibrational spectra, natural bond orbital and thermodynamic analysis of 3,6-dichloro-4-methylpyridazine and 3,6-dichloropyridazine-4-carboxylic acid by dft approach.
    Prabavathi N; Senthil Nayaki N; Venkatram Reddy B
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Feb; 136 Pt B():1134-48. PubMed ID: 25459510
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 18.