These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

127 related articles for article (PubMed ID: 17004745)

  • 21. Modeling vibrational spectra using the self-consistent charge density-functional tight-binding method. I. Raman spectra.
    Witek HA; Morokuma K; Stradomska A
    J Chem Phys; 2004 Sep; 121(11):5171-8. PubMed ID: 15352809
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Unusual noncovalent interaction between the chelated Cu(II) ion and the pi bond in the vitamin B(13) complex, cis-diammine(orotato)copper(II): theoretical and vibrational spectroscopy studies.
    Helios K; Wysokiński R; Zierkiewicz W; Proniewicz LM; Michalska D
    J Phys Chem B; 2009 Jun; 113(23):8158-69. PubMed ID: 19453135
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Fourier transform infrared and FT-Raman spectra, assignment, ab initio, DFT and normal co-ordinate analysis of 2-chloro-4-methylaniline and 2-chloro-6-methylaniline.
    Arjunan V; Mohan S
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Mar; 72(2):436-44. PubMed ID: 19081287
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Contributions of the 8-methyl group to the vibrational normal modes of flavin mononucleotide and its 5-methyl semiquinone radical.
    Eisenberg AS; Schelvis JP
    J Phys Chem A; 2008 Jul; 112(27):6179-89. PubMed ID: 18547041
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Molecular structure, spectroscopic studies and first-order molecular hyperpolarizabilities of ferulic acid by density functional study.
    Sebastian S; Sundaraganesan N; Manoharan S
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Oct; 74(2):312-23. PubMed ID: 19581124
    [TBL] [Abstract][Full Text] [Related]  

  • 26. DFT simulations and vibrational analysis of FT-IR and FT-Raman spectra of 2,4-diamino-6-hydroxypyrimidine.
    Subramanian MK; Anbarasan PM; Manimegalai S
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Aug; 73(4):642-9. PubMed ID: 19406685
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Density functional theory study on Herzberg-Teller contribution in Raman scattering from 4-aminothiophenol-metal complex and metal-4-aminothiophenol-metal junction.
    Liu S; Zhao X; Li Y; Zhao X; Chen M
    J Chem Phys; 2009 Jun; 130(23):234509. PubMed ID: 19548741
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Molecular structure and vibrational spectroscopic investigation of secnidazole using density functional theory.
    Mishra S; Chaturvedi D; Tandon P; Gupta VP; Ayala AP; Honorato SB; Siesler HW
    J Phys Chem A; 2009 Jan; 113(1):273-81. PubMed ID: 19072620
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Detection and determination of the {Fe(NO)(2)} core vibrational features in dinitrosyl-iron complexes from experiment, normal coordinate analysis, and density functional theory: an avenue for probing the nitric oxide oxidation state.
    Dai RJ; Ke SC
    J Phys Chem B; 2007 Mar; 111(9):2335-46. PubMed ID: 17295535
    [TBL] [Abstract][Full Text] [Related]  

  • 30. 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; 74(1):154-61. PubMed ID: 19523872
    [TBL] [Abstract][Full Text] [Related]  

  • 31. HF, MP2 and DFT calculations and spectroscopic study of the vibrational and conformational properties of N-diethylendiamine.
    Elleuch S; Feki H; Abid Y
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 Nov; 68(3):942-7. PubMed ID: 17317286
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Experimental (FTIR and FT-Raman) and ab initio and DFT study of vibrational frequencies of 5-amino-2-nitrobenzoic acid.
    Ramalingam M; Sundaraganesan N; Saleem H; Swaminathan J
    Spectrochim Acta A Mol Biomol Spectrosc; 2008 Nov; 71(1):23-30. PubMed ID: 18178128
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Theoretical Raman and infrared spectra, and vibrational assignment for para-halogenoanilines: DFT study.
    Wojciechowski PM; Michalska D
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 Nov; 68(3):948-55. PubMed ID: 17317284
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Revised vibrational band assignments for the experimental IR and Raman spectra of 2,3,4-trifluorobenzonitrile based on ab initio, DFT and normal coordinate calculations.
    Hiremath CS; Kalkoti GB; Aralakkanavar MK
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Sep; 74(1):200-4. PubMed ID: 19560961
    [TBL] [Abstract][Full Text] [Related]  

  • 35. A comparative study of the structural, electronic, and vibrational properties of NH3BH3 and LiNH2BH3: theory and experiment.
    Lee SM; Kang XD; Wang P; Cheng HM; Lee YH
    Chemphyschem; 2009 Aug; 10(11):1825-33. PubMed ID: 19598195
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Methanol adsorption on the beta-Ga2O3 surface with oxygen vacancies: theoretical and experimental approach.
    Branda MM; Collins SE; Castellani NJ; Baltanas MA; Bonivardi AL
    J Phys Chem B; 2006 Jun; 110(24):11847-53. PubMed ID: 16800487
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Density-functional theory study of vibrational relaxation of CO stretching excitation on Si(100).
    Sakong S; Kratzer P; Han X; Lass K; Weingart O; Hasselbrink E
    J Chem Phys; 2008 Nov; 129(17):174702. PubMed ID: 19045365
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Modeling carbon nanostructures with the self-consistent charge density-functional tight-binding method: vibrational spectra and electronic structure of C(28), C(60), and C(70).
    Witek HA; Irle S; Zheng G; de Jong WA; Morokuma K
    J Chem Phys; 2006 Dec; 125(21):214706. PubMed ID: 17166039
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Molecular structure, vibrational and chemical shift assignments of 8-hydroxy-1-methylquinolinium iodide hydrate by density functional theory (DFT) and ab initio Hartree-Fock (HF) calculations.
    Atalay Y; Avci D; Başoğlu A
    Spectrochim Acta A Mol Biomol Spectrosc; 2008 Dec; 71(3):760-5. PubMed ID: 18358768
    [TBL] [Abstract][Full Text] [Related]  

  • 40. 2-Bromohydroquinone: structures, vibrational assignments and RHF, B- and B3-based density functional calculations.
    Ramoji A; Yenagi J; Tonannavar J
    Spectrochim Acta A Mol Biomol Spectrosc; 2008 Mar; 69(3):926-32. PubMed ID: 17613269
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 7.