BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

643 related articles for article (PubMed ID: 19852448)

  • 41. The HCSHSC and HCS+HSC+ systems: molecular properties, isomerization, and energetics.
    Puzzarini C
    J Chem Phys; 2005 Jul; 123(2):24313. PubMed ID: 16050751
    [TBL] [Abstract][Full Text] [Related]  

  • 42. Combustion chemistry: important features of the C3H5 potential energy surface, including allyl radical, propargyl + H2, allene + H, and eight transition states.
    Narendrapurapu BS; Simmonett AC; Schaefer HF; Miller JA; Klippenstein SJ
    J Phys Chem A; 2011 Dec; 115(49):14209-14. PubMed ID: 22032701
    [TBL] [Abstract][Full Text] [Related]  

  • 43. Accurate ab initio predictions of ionization energies and heats of formation for the 2-propyl, phenyl, and benzyl radicals.
    Lau KC; Ng CY
    J Chem Phys; 2006 Jan; 124(4):044323. PubMed ID: 16460178
    [TBL] [Abstract][Full Text] [Related]  

  • 44. Toward subchemical accuracy in computational thermochemistry: focal point analysis of the heat of formation of NCO and [H,N,C,O] isomers.
    Schuurman MS; Muir SR; Allen WD; Schaefer HF
    J Chem Phys; 2004 Jun; 120(24):11586-99. PubMed ID: 15268193
    [TBL] [Abstract][Full Text] [Related]  

  • 45. Low-lying triplet states of diphosphene and diphosphinylidene.
    Lu T; Hao Q; Simmonett AC; Evangelista FA; Yamaguchi Y; Fang DC; Schaefer HF
    J Phys Chem A; 2010 Oct; 114(40):10850-6. PubMed ID: 20836526
    [TBL] [Abstract][Full Text] [Related]  

  • 46. Accurate energetics of small molecules containing third-row atoms Ga-Kr: a comparison of advanced ab initio and density functional theory.
    Yockel S; Mintz B; Wilson AK
    J Chem Phys; 2004 Jul; 121(1):60-77. PubMed ID: 15260523
    [TBL] [Abstract][Full Text] [Related]  

  • 47. Correlated ab initio investigations on the intermolecular and intramolecular potential energy surfaces in the ground electronic state of the O2(-)(X2Πg)-HF(X1Σ+) complex.
    Fawzy WM; Elsayed M; Zhang Y
    J Chem Phys; 2013 Jan; 138(1):014304. PubMed ID: 23298038
    [TBL] [Abstract][Full Text] [Related]  

  • 48. Ab initio and density functional theory reinvestigation of gas-phase sulfuric acid monohydrate and ammonium hydrogen sulfate.
    Kurtén T; Sundberg MR; Vehkamäki H; Noppel M; Blomqvist J; Kulmala M
    J Phys Chem A; 2006 Jun; 110(22):7178-88. PubMed ID: 16737269
    [TBL] [Abstract][Full Text] [Related]  

  • 49. Isomers of the uracil dimer: an ab initio benchmark study.
    Frey JA; Müller A; Losada M; Leutwyler S
    J Phys Chem B; 2007 Apr; 111(13):3534-42. PubMed ID: 17388514
    [TBL] [Abstract][Full Text] [Related]  

  • 50. Thermochemistry of key soot formation intermediates: C3H3 isomers.
    Wheeler SE; Robertson KA; Allen WD; Schaefer HF; Bomble YJ; Stanton JF
    J Phys Chem A; 2007 May; 111(19):3819-30. PubMed ID: 17402717
    [TBL] [Abstract][Full Text] [Related]  

  • 51. Ab initio benchmark study for the oxidative addition of CH4 to Pd: importance of basis-set flexibility and polarization.
    de Jong GT; Solà M; Visscher L; Bickelhaupt FM
    J Chem Phys; 2004 Nov; 121(20):9982-92. PubMed ID: 15549873
    [TBL] [Abstract][Full Text] [Related]  

  • 52. Computational investigation of the conrotatory and disrotatory isomerization channels of bicyclo[1.1.0]butane to buta-1,3-diene: a completely renormalized coupled-cluster study.
    Kinal A; Piecuch P
    J Phys Chem A; 2007 Feb; 111(4):734-42. PubMed ID: 17249766
    [TBL] [Abstract][Full Text] [Related]  

  • 53. Toward the observation of quartet states of the ozone radical cation: insights from coupled cluster theory.
    Speakman LD; Turney JM; Schaefer HF
    J Chem Phys; 2008 Jun; 128(21):214302. PubMed ID: 18537417
    [TBL] [Abstract][Full Text] [Related]  

  • 54. Low-lying electronic states of FeNC and FeCN: a theoretical journey into isomerization and quartet/sextet competition.
    DeYonker NJ; Yamaguchi Y; Allen WD; Pak C; Schaefer HF; Peterson KA
    J Chem Phys; 2004 Mar; 120(10):4726-41. PubMed ID: 15267333
    [TBL] [Abstract][Full Text] [Related]  

  • 55. Ab initio potential energy and dipole moment surfaces of (H2O)2.
    Huang X; Braams BJ; Bowman JM
    J Phys Chem A; 2006 Jan; 110(2):445-51. PubMed ID: 16405316
    [TBL] [Abstract][Full Text] [Related]  

  • 56. Thermodynamic properties of the C5, C6, and C8 n-alkanes from ab initio electronic structure theory.
    Pollack L; Windus TL; de Jong WA; Dixon DA
    J Phys Chem A; 2005 Aug; 109(31):6934-8. PubMed ID: 16834051
    [TBL] [Abstract][Full Text] [Related]  

  • 57. The problematic C2H4+F2 reaction barrier.
    Feng H; Allen WD
    J Chem Phys; 2010 Mar; 132(9):094304. PubMed ID: 20210395
    [TBL] [Abstract][Full Text] [Related]  

  • 58. An ab initio benchmark study of hydrogen bonded formamide dimers.
    Frey JA; Leutwyler S
    J Phys Chem A; 2006 Nov; 110(45):12512-8. PubMed ID: 17091957
    [TBL] [Abstract][Full Text] [Related]  

  • 59. The beryllium pentamer: trailing an uneven sequence of dissociation energies.
    Ascik PN; Rugango R; Simmonett AC; Compaan KR; Schaefer HF
    Chemphyschem; 2012 Apr; 13(5):1255-60. PubMed ID: 22392888
    [TBL] [Abstract][Full Text] [Related]  

  • 60. Barrier to linearity and anharmonic force field of the ketenyl radical.
    Simmonett AC; Stibrich NJ; Papas BN; Schaefer HF; Allen WD
    J Phys Chem A; 2009 Oct; 113(43):11643-50. PubMed ID: 19757838
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 33.