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 *

178 related articles for article (PubMed ID: 16331720)

  • 21. Investigations of an O-H...S hydrogen bond via Car-Parrinello and path integral molecular dynamics.
    Jezierska A; Panek JJ
    J Comput Chem; 2009 Jun; 30(8):1241-50. PubMed ID: 18988272
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Ab initio molecular dynamics simulation of a 1-ethyl-3-methylimidazolium fluoride-hydrogen fluoride mixture.
    Bhargava BL; Balasubramanian S
    J Phys Chem B; 2008 Jun; 112(25):7566-73. PubMed ID: 18512890
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Neutron powder diffraction and molecular simulation study of the structural evolution of ammonia borane from 15 to 340 K.
    Hess NJ; Schenter GK; Hartman MR; Daemen LL; Proffen T; Kathmann SM; Mundy CJ; Hartl M; Heldebrant DJ; Stowe AC; Autrey T
    J Phys Chem A; 2009 May; 113(19):5723-35. PubMed ID: 19374410
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Raman spectroscopic study of cyclopentane at high pressure.
    Tkachev SN; Pravica M; Kim E; Weck PF
    J Chem Phys; 2009 May; 130(20):204505. PubMed ID: 19485455
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Effective force field for liquid hydrogen fluoride from ab initio molecular dynamics simulation using the force-matching method.
    Izvekov S; Voth GA
    J Phys Chem B; 2005 Apr; 109(14):6573-86. PubMed ID: 16851738
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Dynamical properties of liquid water from ab initio molecular dynamics performed in the complete basis set limit.
    Lee HS; Tuckerman ME
    J Chem Phys; 2007 Apr; 126(16):164501. PubMed ID: 17477608
    [TBL] [Abstract][Full Text] [Related]  

  • 27. C-H stretching vibrations of methyl, methylene and methine groups at the vapor/alcohol (N = 1-8) interfaces.
    Lu R; Gan W; Wu BH; Zhang Z; Guo Y; Wang HF
    J Phys Chem B; 2005 Jul; 109(29):14118-29. PubMed ID: 16852773
    [TBL] [Abstract][Full Text] [Related]  

  • 28. 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]  

  • 29. Evolution of intermolecular structure and dynamics in supercritical carbon dioxide with pressure: an ab initio molecular dynamics study.
    Saharay M; Balasubramanian S
    J Phys Chem B; 2007 Jan; 111(2):387-92. PubMed ID: 17214490
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Molecular dynamics simulation of liquid sulfur dioxide.
    Ribeiro MC
    J Phys Chem B; 2006 May; 110(17):8789-97. PubMed ID: 16640437
    [TBL] [Abstract][Full Text] [Related]  

  • 31. The spectroscopic (FTIR, FT-IR gas phase and FT-Raman), first order hyperpolarizabilities, NMR analysis of 2,4-dichloroaniline by ab initio HF and density functional methods.
    Sundaraganesan N; Karpagam J; Sebastian S; Cornard JP
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Jul; 73(1):11-9. PubMed ID: 19251476
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Surface phase transition of C12E1 at the air/water interface: a study by dynamic surface tension, external RA FT-IR, and 2D IR correlation methods.
    Azizian S; Shibata K; Matsuda T; Takiue T; Matsubara H; Aratono M
    J Phys Chem B; 2006 Aug; 110(34):17034-42. PubMed ID: 16927997
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Structural, dynamic, and electronic properties of liquid tin: An ab initio molecular dynamics study.
    Calderín L; González DJ; González LE; López JM
    J Chem Phys; 2008 Nov; 129(19):194506. PubMed ID: 19026065
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Phosphorus: first principle simulation of a liquid-liquid phase transition.
    Ghiringhelli LM; Meijer EJ
    J Chem Phys; 2005 May; 122(18):184510. PubMed ID: 15918732
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Raman spectra of ionic liquids: interpretation via computer simulation.
    Madden PA; Wilson M; Hutchinson F
    J Chem Phys; 2004 Apr; 120(14):6609-20. PubMed ID: 15267553
    [TBL] [Abstract][Full Text] [Related]  

  • 36. FT-Raman and FT-IR spectra, ab initio and density functional studies of 3,4-dichlorobenzyl alcohol.
    Sundaraganesan N; Anand B; Jian FF; Zhao P
    Spectrochim Acta A Mol Biomol Spectrosc; 2006 Nov; 65(3-4):826-32. PubMed ID: 16574470
    [TBL] [Abstract][Full Text] [Related]  

  • 37. In situ high-pressure study of sodium amide by Raman and infrared spectroscopies.
    Liu A; Song Y
    J Phys Chem B; 2011 Jan; 115(1):7-13. PubMed ID: 21141952
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Structural isotopic effects in the smallest chiral amino acid: observation of a structural phase transition in fully deuterated alanine.
    de Souza JM; Freire PT; Bordallo HN; Argyriou DN
    J Phys Chem B; 2007 May; 111(19):5034-9. PubMed ID: 17439273
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Phase transitions in the crystals of L- and DL-cysteine on cooling: intermolecular hydrogen bonds distortions and the side-chain motions of thiol-groups. 1. L-cysteine.
    Kolesov BA; Minkov VS; Boldyreva EV; Drebushchak TN
    J Phys Chem B; 2008 Oct; 112(40):12827-39. PubMed ID: 18793012
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Resonant infrared multiphoton dissociation spectroscopy of gas-phase protonated peptides. Experiments and Car-Parrinello dynamics at 300 K.
    Grégoire G; Gaigeot MP; Marinica DC; Lemaire J; Schermann JP; Desfrançois C
    Phys Chem Chem Phys; 2007 Jun; 9(24):3082-97. PubMed ID: 17612732
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 9.