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 *

155 related articles for article (PubMed ID: 17228901)

  • 41. Coupled cluster study of the energetic properties of S2x (x=0,+1,1).
    Grant DJ; Dixon DA; Francisco JS
    J Chem Phys; 2007 Apr; 126(14):144308. PubMed ID: 17444713
    [TBL] [Abstract][Full Text] [Related]  

  • 42. A new nonsymmetric as (OH)3 species. Comparison with the known C3 species and themochemistry at the HF, DFT(B3LYP), MP2, MP4, and CCSD(T) levels of theory.
    Ramírez-Solís A; Hernandez-Cobos J; Vargas C
    J Phys Chem A; 2006 Jun; 110(24):7637-41. PubMed ID: 16774208
    [TBL] [Abstract][Full Text] [Related]  

  • 43. Extrapolating to the one-electron basis-set limit in electronic structure calculations.
    Varandas AJ
    J Chem Phys; 2007 Jun; 126(24):244105. PubMed ID: 17614535
    [TBL] [Abstract][Full Text] [Related]  

  • 44. Explicitly correlated combined coupled-cluster and perturbation methods.
    Shiozaki T; Valeev EF; Hirata S
    J Chem Phys; 2009 Jul; 131(4):044118. PubMed ID: 19655848
    [TBL] [Abstract][Full Text] [Related]  

  • 45. Computational study of the reactions of methanol with the hydroperoxyl and methyl radicals. 1. Accurate thermochemistry and barrier heights.
    Alecu IM; Truhlar DG
    J Phys Chem A; 2011 Apr; 115(13):2811-29. PubMed ID: 21405059
    [TBL] [Abstract][Full Text] [Related]  

  • 46. Coupled-cluster study of the electronic structure and energetics of tetrasulfur, S4.
    Matus MH; Dixon DA; Peterson KA; Harkless JA; Francisco JS
    J Chem Phys; 2007 Nov; 127(17):174305. PubMed ID: 17994816
    [TBL] [Abstract][Full Text] [Related]  

  • 47. Extrapolation of electron correlation energies to finite and complete basis set targets.
    Bakowies D
    J Chem Phys; 2007 Aug; 127(8):084105. PubMed ID: 17764227
    [TBL] [Abstract][Full Text] [Related]  

  • 48. Structure and heats of formation of iodine fluorides and the respective closed-shell ions from CCSD(T) electronic structure calculations and reliable prediction of the steric activity of the free-valence electron pair in ClF6-, BrF6-, and IF6-.
    Dixon DA; Grant DJ; Christe KO; Peterson KA
    Inorg Chem; 2008 Jun; 47(12):5485-94. PubMed ID: 18476690
    [TBL] [Abstract][Full Text] [Related]  

  • 49. Contracted Gaussian basis sets for Douglas-Kroll-Hess calculations: Estimating scalar relativistic effects of some atomic and molecular properties.
    Jorge FE; Canal Neto A; Camiletti GG; Machado SF
    J Chem Phys; 2009 Feb; 130(6):064108. PubMed ID: 19222268
    [TBL] [Abstract][Full Text] [Related]  

  • 50. Determining the CH3SO2 --> CH3 + SO2 barrier from methylsulfonyl chloride photodissociation at 193 nm using velocity map imaging.
    Ratliff BJ; Tang X; Butler LJ; Szpunar DE; Lau KC
    J Chem Phys; 2009 Jul; 131(4):044304. PubMed ID: 19655864
    [TBL] [Abstract][Full Text] [Related]  

  • 51. Heats of formation of krypton fluorides and stability predictions for KrF4 and KrF6 from high level electronic structure calculations.
    Dixon DA; Wang TH; Grant DJ; Peterson KA; Christe KO; Schrobilgen GJ
    Inorg Chem; 2007 Nov; 46(23):10016-21. PubMed ID: 17941630
    [TBL] [Abstract][Full Text] [Related]  

  • 52. Basis set convergence of post-CCSD contributions to molecular atomization energies.
    Karton A; Taylor PR; Martin JM
    J Chem Phys; 2007 Aug; 127(6):064104. PubMed ID: 17705585
    [TBL] [Abstract][Full Text] [Related]  

  • 53. Pi and sigma-phenylethynyl radicals and their isomers o-, m-, and p-ethynylphenyl: structures, energetics, and electron affinities.
    Sreeruttun RK; Ramasami P; Wannere CS; Simmonett AC; Schaefer HF
    J Phys Chem A; 2008 Apr; 112(13):2838-45. PubMed ID: 18335906
    [TBL] [Abstract][Full Text] [Related]  

  • 54. Accurate ab initio quartic force fields of cyclic and bent HC2N isomers.
    Inostroza N; Huang X; Lee TJ
    J Chem Phys; 2011 Dec; 135(24):244310. PubMed ID: 22225159
    [TBL] [Abstract][Full Text] [Related]  

  • 55. Benchmark calculations on the adiabatic ionization potentials of M-NH(3) (M=Na,Al,Ga,In,Cu,Ag).
    Li S; Peterson KA; Dixon DA
    J Chem Phys; 2008 Apr; 128(15):154301. PubMed ID: 18433203
    [TBL] [Abstract][Full Text] [Related]  

  • 56. Reduced multireference coupled cluster method with singles and doubles: Perturbative corrections for triples.
    Li X; Paldus J
    J Chem Phys; 2006 May; 124(17):174101. PubMed ID: 16689561
    [TBL] [Abstract][Full Text] [Related]  

  • 57. New relativistic ANO basis sets for transition metal atoms.
    Roos BO; Lindh R; Malmqvist PA; Veryazov V; Widmark PO
    J Phys Chem A; 2005 Jul; 109(29):6575-9. PubMed ID: 16834004
    [TBL] [Abstract][Full Text] [Related]  

  • 58. Theoretical thermodynamics for large molecules: walking the thin line between accuracy and computational cost.
    Schwabe T; Grimme S
    Acc Chem Res; 2008 Apr; 41(4):569-79. PubMed ID: 18324790
    [TBL] [Abstract][Full Text] [Related]  

  • 59. Structure and energetics of gaseous HZnCl.
    Kerkines IS; Mavridis A; Karipidis PA
    J Phys Chem A; 2006 Sep; 110(37):10899-903. PubMed ID: 16970387
    [TBL] [Abstract][Full Text] [Related]  

  • 60. A truncated version of reduced multireference coupled-cluster method with singles and doubles and noniterative triples: application to F2 and Ni(CO)n (n=1, 2, and 4).
    Li X; Paldus J
    J Chem Phys; 2006 Oct; 125(16):164107. PubMed ID: 17092063
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 8.