BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

321 related articles for article (PubMed ID: 17328600)

  • 21. The structure of the hydrated electron. Part 2. A mixed quantum/classical molecular dynamics embedded cluster density functional theory: single-excitation configuration interaction study.
    Shkrob IA; Glover WJ; Larsen RE; Schwartz BJ
    J Phys Chem A; 2007 Jun; 111(24):5232-43. PubMed ID: 17530823
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Production of vibrationally excited H(2)O from charge exchange of H(3)O(+) with cesium.
    Mann JE; Xie Z; Savee JD; Bowman JM; Continetti RE
    J Chem Phys; 2009 Jan; 130(4):041102. PubMed ID: 19191369
    [TBL] [Abstract][Full Text] [Related]  

  • 23. 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]  

  • 24. Theoretical study of the structures and vibrational spectra of the hydrogen-bonded systems of 4-cyanophenol with N-bases.
    Dimitrova Y; Tsenov JA
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 Nov; 68(3):454-9. PubMed ID: 17336137
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Insights into gas-phase structural conformers of hydrated rubidium and cesium cations, M(+)(H2O)(n)Ar (M = Rb, Cs; n = 3-5), using infrared photodissociation spectroscopy.
    Ke H; van der Linde C; Lisy JM
    J Phys Chem A; 2014 Feb; 118(8):1363-73. PubMed ID: 24502266
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Proton hydration in aqueous solution: Fourier transform infrared studies of HDO spectra.
    Smiechowski M; Stangret J
    J Chem Phys; 2006 Nov; 125(20):204508. PubMed ID: 17144716
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Bonding energetics in clusters formed by cesium salts: a study by collision-induced dissociation and density functional theory.
    Maria PC; Massi L; Box NS; Gal JF; Burk P; Tammiku-Taul J; Kutsar M
    Rapid Commun Mass Spectrom; 2006; 20(13):2057-62. PubMed ID: 16755612
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Matrix-isolation infrared spectroscopic and theoretical studies on reactions of laser-ablated germanium atoms with water molecules.
    Teng YL; Jiang L; Han S; Xu Q
    J Phys Chem A; 2007 Jul; 111(28):6225-31. PubMed ID: 17580836
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Competition between cation-pi interactions and intermolecular hydrogen bonds in alkali metal ion-phenol clusters. I. Phenol dimer.
    Vaden TD; Lisy JM
    J Chem Phys; 2005 Aug; 123(7):074302. PubMed ID: 16229565
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Vibrational spectra and assignments using ab initio and density functional theory analysis on the structure of biotin.
    Emami M; Teimouri A; Chermahini AN
    Spectrochim Acta A Mol Biomol Spectrosc; 2008 Dec; 71(4):1516-24. PubMed ID: 18586555
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Structure, stability, thermodynamic properties, and IR spectra of the protonated water decamer H+(H2O)10.
    Karthikeyan S; Kim KS
    J Phys Chem A; 2009 Aug; 113(32):9237-42. PubMed ID: 19618910
    [TBL] [Abstract][Full Text] [Related]  

  • 32. The vibrational spectra of protonated water clusters: a benchmark for self-consistent-charge density-functional tight binding.
    Yu H; Cui Q
    J Chem Phys; 2007 Dec; 127(23):234504. PubMed ID: 18154397
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Hydrated alkali-metal cations: infrared spectroscopy and ab initio calculations of M+(H2O)(x=2-5)Ar cluster ions for M = Li, Na, K, and Cs.
    Miller DJ; Lisy JM
    J Am Chem Soc; 2008 Nov; 130(46):15381-92. PubMed ID: 18939843
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Molecular structure, IR spectra of 2-mercaptobenzothiazole and 2-mercaptobenzoxazole by density functional theory and ab initio Hartree-Fock calculations.
    Li XH; Tang ZX; Zhang XZ
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Sep; 74(1):168-73. PubMed ID: 19553157
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Structures and infrared spectra of fluoride-hydrogen sulfide clusters from ab initio calculations: F(-)-(H2S)n, n = 1-5.
    Wild DA; Lenzer T
    Phys Chem Chem Phys; 2005 Nov; 7(22):3793-804. PubMed ID: 16358028
    [TBL] [Abstract][Full Text] [Related]  

  • 36. On the cluster composition of supercritical water combining molecular modeling and vibrational spectroscopic data.
    Tassaing T; Garrain PA; Bégué D; Baraille I
    J Chem Phys; 2010 Jul; 133(3):034103. PubMed ID: 20649304
    [TBL] [Abstract][Full Text] [Related]  

  • 37. FT-IR, NIR-FT-Raman and gas phase infrared spectra of 3-aminoacetophenone by density functional theory and ab initio Hartree-Fock calculations.
    Subramanian MK; Anbarasan PM; Ilangovan V; Babu SM
    Spectrochim Acta A Mol Biomol Spectrosc; 2008 Nov; 71(1):59-67. PubMed ID: 18178129
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Microsolvation of methyl hydrogen peroxide: ab initio quantum chemical approach.
    Kulkarni AD; Rai D; Bartolotti LJ; Pathak RK
    J Chem Phys; 2009 Aug; 131(5):054310. PubMed ID: 19673565
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Infrared spectroscopy of the microhydrated nitrate ions NO(3)(-)(H2O)(1-6).
    Goebbert DJ; Garand E; Wende T; Bergmann R; Meijer G; Asmis KR; Neumark DM
    J Phys Chem A; 2009 Jul; 113(26):7584-92. PubMed ID: 19445493
    [TBL] [Abstract][Full Text] [Related]  

  • 40. An ab initio investigation of zinc chloro complexes.
    Pye CC; Corbeil CR; Rudolph WW
    Phys Chem Chem Phys; 2006 Dec; 8(46):5428-36. PubMed ID: 17119651
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 17.