BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

600 related articles for article (PubMed ID: 24785089)

  • 1. Quantum chemical vibrational study, molecular property, FTIR, FT-Raman spectra, NBO, HOMO-LUMO energies and thermodynamic properties of 1-methyl-2-phenyl benzimidazole.
    Karnan M; Balachandran V; Murugan M; Murali MK
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Sep; 130():143-51. PubMed ID: 24785089
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Molecular structure analysis and spectroscopic characterization of 9-methoxy-2H-furo[3,2-g]chromen-2-one with experimental (FT-IR and FT-Raman) techniques and quantum chemical calculations.
    Swarnalatha N; Gunasekaran S; Muthu S; Nagarajan M
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Feb; 137():721-9. PubMed ID: 25262140
    [TBL] [Abstract][Full Text] [Related]  

  • 3. 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]  

  • 4. 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]  

  • 5. Quantum mechanical study and spectroscopic (FT-IR, FT-Raman, UV-Visible) study, potential energy surface scan, Fukui function analysis and HOMO-LUMO analysis of 3-tert-butyl-4-methoxyphenol by DFT methods.
    Saravanan S; Balachandran V
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Sep; 130():604-20. PubMed ID: 24813291
    [TBL] [Abstract][Full Text] [Related]  

  • 6. The spectroscopic (FT-IR, FT-Raman, UV) and first order hyperpolarizability, HOMO and LUMO analysis of 3-aminobenzophenone by density functional method.
    Karabacak M; Kurt M; Cinar M; Ayyappan S; Sudha S; Sundaraganesan N
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Jun; 92():365-76. PubMed ID: 22446786
    [TBL] [Abstract][Full Text] [Related]  

  • 7. 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]  

  • 8. 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]  

  • 9. 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]  

  • 10. Quantum mechanical study of the structure and vibrational spectroscopic (FT-IR and FT-Raman), first-order hyperpolarizability, NBO and HOMO-LUMO studies of 4-bromo-3-nitroanisole.
    Balachandran V; Karunakaran V
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Apr; 106():284-98. PubMed ID: 23416886
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Vibrational assignment, HOMO-LUMO and NBO analysis of (2S)-2-[(2-{[(2S)-1-hydroxybutan-2-yl]amino}ethyl)amino]butan-1-ol by density functional theory.
    Rajalakshmi K; Gunasekaran S; Kumaresan S
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Sep; 130():466-79. PubMed ID: 24813275
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Thermal and magnetic properties and vibrational analysis of 4-(dimethylamino) pyridine: a quantum chemical approach.
    Balachandran V; Rajeswari S; Lalitha S
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Apr; 124():277-84. PubMed ID: 24500730
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Natural bond orbital analysis, electronic structure and vibrational spectral analysis of N-(4-hydroxyl phenyl) acetamide: a density functional theory.
    Govindasamy P; Gunasekaran S; Ramkumaar GR
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Sep; 130():621-33. PubMed ID: 24813292
    [TBL] [Abstract][Full Text] [Related]  

  • 14. 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]  

  • 15. 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; 125():239-51. PubMed ID: 24556133
    [TBL] [Abstract][Full Text] [Related]  

  • 16. 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; 121():483-93. PubMed ID: 24291424
    [TBL] [Abstract][Full Text] [Related]  

  • 17. 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]  

  • 18. 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; 128():1-14. PubMed ID: 24657464
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Theoretical investigations on molecular structure, vibrational spectra, HOMO, LUMO, NBO analysis and hyperpolarizability calculations of thiophene-2-carbohydrazide.
    Balachandran V; Janaki A; Nataraj A
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Jan; 118():321-30. PubMed ID: 24060478
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Spectroscopic studies (FTIR, FT-Raman and UV), potential energy surface scan, normal coordinate analysis and NBO analysis of (2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl) piperidine-3,4,5-triol by DFT methods.
    Isac Paulraj E; Muthu S
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 May; 108():38-49. PubMed ID: 23454843
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 30.