BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

207 related articles for article (PubMed ID: 15291621)

  • 21. Microhydration of NO3(-): a theoretical study on structure, stability and IR spectra.
    Pathak AK; Mukherjee T; Maity DK
    J Phys Chem A; 2008 Apr; 112(15):3399-408. PubMed ID: 18327926
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Theoretical calculation of structures and proton transfer in hydrated ammonia-hydrogen chloride clusters.
    Asada T; Takitani S; Koseki S
    J Phys Chem A; 2005 Mar; 109(9):1821-7. PubMed ID: 16833512
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Theoretical IR spectra for water clusters (H2O)n (n = 6-22, 28, 30) and identification of spectral contributions from different H-bond conformations in gaseous and liquid water.
    Lenz A; Ojamäe L
    J Phys Chem A; 2006 Dec; 110(50):13388-93. PubMed ID: 17165863
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Ab initio vibrational calculations for H2SO4 and H2SO4 x H2O: spectroscopy and the nature of the anharmonic couplings.
    Miller Y; Chaban GM; Gerber RB
    J Phys Chem A; 2005 Jul; 109(29):6565-74. PubMed ID: 16834003
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Using MD snapshots in ab initio and DFT calculations: OH vibrations in the first hydration shell around Li+(aq).
    Pejov L; Spångberg D; Hermansson K
    J Phys Chem A; 2005 Jun; 109(23):5144-52. PubMed ID: 16833869
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Hydrated copper and gold monovalent cations: Ab initio study.
    Lee HM; Min SK; Lee EC; Min JH; Odde S; Kim KS
    J Chem Phys; 2005 Feb; 122(6):064314. PubMed ID: 15740379
    [TBL] [Abstract][Full Text] [Related]  

  • 27. Theoretical study of binding interactions and vibrational Raman spectra of water in hydrogen-bonded anionic complexes: (H2O)n- (n = 2 and 3), H2O...X- (X = F, Cl, Br, and I), and H2O...M- (M = Cu, Ag, and Au).
    Wu DY; Duan S; Liu XM; Xu YC; Jiang YX; Ren B; Xu X; Lin SH; Tian ZQ
    J Phys Chem A; 2008 Feb; 112(6):1313-21. PubMed ID: 18215023
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Ab initio investigation of vibrational spectra of water-(CO2)n complexes (n = 1, 2).
    Danten Y; Tassaing T; Besnard M
    J Phys Chem A; 2005 Apr; 109(14):3250-6. PubMed ID: 16833656
    [TBL] [Abstract][Full Text] [Related]  

  • 29. The structure and binding energies of the van der Waals complexes of Ar and N2 with phenol and its cation, studied by high level ab initio and density functional theory calculations.
    Vincent MA; Hillier IH; Morgado CA; Burton NA; Shan X
    J Chem Phys; 2008 Jan; 128(4):044313. PubMed ID: 18247955
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Interaction of peroxyformic acid with water molecules: a first-principles study.
    Kulkarni AD; Rai D; Bartolotti LJ; Pathak RK
    J Phys Chem A; 2006 Oct; 110(42):11855-61. PubMed ID: 17048817
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Infrared spectroscopy of hydrogen-bonded 2-fluoropyridine-water clusters in supersonic jets.
    Nibu Y; Marui R; Shimada H
    J Phys Chem A; 2006 Aug; 110(31):9627-32. PubMed ID: 16884196
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Global minimum-energy structure and spectroscopic properties of I2(*-) x n H2O clusters: a Monte Carlo simulated annealing study.
    Pathak AK; Mukherjee T; Maity DK
    Chemphyschem; 2010 Jan; 11(1):220-8. PubMed ID: 19943270
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Intramolecular vibrational frequencies of water clusters (H2O)n (n=2-5): Anharmonic analyses using potential functions based on the scaled hypersphere search method.
    Watanabe Y; Maeda S; Ohno K
    J Chem Phys; 2008 Aug; 129(7):074315. PubMed ID: 19044775
    [TBL] [Abstract][Full Text] [Related]  

  • 34. O-H stretch modes of dodecahedral water clusters: a statistical ab initio study.
    Anick DJ
    J Phys Chem A; 2006 Apr; 110(15):5135-43. PubMed ID: 16610836
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Hydrated HCl clusters, HCl(H2O)(1-3), in helium nanodroplets: studies of free OH vibrational stretching modes.
    Skvortsov D; Lee SJ; Choi MY; Vilesov AF
    J Phys Chem A; 2009 Jul; 113(26):7360-5. PubMed ID: 19334734
    [TBL] [Abstract][Full Text] [Related]  

  • 36. 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]  

  • 37. Quantum vibrational analysis of hydrated ions using an ab initio potential.
    Kamarchik E; Bowman JM
    J Phys Chem A; 2010 Dec; 114(49):12945-51. PubMed ID: 21080684
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Hydration of ion-biomolecule complexes: ab initio calculations and gas-phase vibrational spectroscopy of K+ (indole)m(H2O)n.
    Miller DJ; Lisy JM
    J Chem Phys; 2006 May; 124(18):184301. PubMed ID: 16709100
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Characterization of hydrated Na+(phenol) and K+(phenol) complexes using infrared spectroscopy.
    Vaden TD; Lisy JM
    J Chem Phys; 2004 Jan; 120(2):721-30. PubMed ID: 15267907
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Structures, energetics, vibrational spectra of NH4+ (H2O)(n=4,6) clusters: Ab initio calculations and first principles molecular dynamics simulations.
    Karthikeyan S; Singh JN; Park M; Kumar R; Kim KS
    J Chem Phys; 2008 Jun; 128(24):244304. PubMed ID: 18601329
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 11.