BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

188 related articles for article (PubMed ID: 15740381)

  • 1. The energetics and structural properties of diazomethyl (HCNN) and cyanomidyl (HNCN) radicals and their related cations and anions from ab initio calculations.
    Puzzarini C; Gambi A
    J Chem Phys; 2005 Feb; 122(6):064316. PubMed ID: 15740381
    [TBL] [Abstract][Full Text] [Related]  

  • 2. 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]  

  • 3. Ab initio thermochemistry involving heavy atoms: an investigation of the reactions Hg + IX (X = I, Br, Cl, O).
    Shepler BC; Balabanov NB; Peterson KA
    J Phys Chem A; 2005 Nov; 109(45):10363-72. PubMed ID: 16833332
    [TBL] [Abstract][Full Text] [Related]  

  • 4. 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]  

  • 5. On the spectroscopic and thermochemical properties of ClO, BrO, IO, and their anions.
    Peterson KA; Shepler BC; Figgen D; Stoll H
    J Phys Chem A; 2006 Dec; 110(51):13877-83. PubMed ID: 17181347
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Structures and energetics of H(6)(+) clusters.
    Hao Q; Simmonett AC; Yamaguchi Y; Fang DC; Schaefer HF
    J Phys Chem A; 2009 Dec; 113(48):13608-20. PubMed ID: 19852448
    [TBL] [Abstract][Full Text] [Related]  

  • 7. High accuracy ab initio studies of Li6+, Li6-, and three isomers of Li6.
    Temelso B; Sherrill CD
    J Chem Phys; 2005 Feb; 122(6):064315. PubMed ID: 15740380
    [TBL] [Abstract][Full Text] [Related]  

  • 8. High-level ab initio predictions for the ionization energy, bond dissociation energies, and heats of formations of iron carbide (FeC) and its cation (FeC+).
    Lau KC; Chang YC; Lam CS; Ng CY
    J Phys Chem A; 2009 Dec; 113(52):14321-8. PubMed ID: 19775110
    [TBL] [Abstract][Full Text] [Related]  

  • 9. 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]  

  • 10. Basis set and electron correlation effects on the polarizability and second hyperpolarizability of model open-shell pi-conjugated systems.
    Champagne B; Botek E; Nakano M; Nitta T; Yamaguchi K
    J Chem Phys; 2005 Mar; 122(11):114315. PubMed ID: 15839724
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Ab initio molecular-orbital study of structures and energetics of Si3H3 neutral and anion.
    Saitoh T; Naoe T; Ikuta S
    J Chem Phys; 2005 May; 122(20):204314. PubMed ID: 15945731
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Theoretical study on isomeric stabilities of C2H2Si and its ionization potentials and electron affinities.
    Ikuta S; Saitoh T; Wakamatsu S
    J Chem Phys; 2004 Aug; 121(8):3478-85. PubMed ID: 15303912
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Heats of formation of the H1,2OmSn (m, n = 0-3) molecules from electronic structure calculations.
    Grant DJ; Dixon DA; Francisco JS; Feller D; Peterson KA
    J Phys Chem A; 2009 Oct; 113(42):11343-53. PubMed ID: 19780577
    [TBL] [Abstract][Full Text] [Related]  

  • 14. 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]  

  • 15. The ab initio limit quartic force field of BH3.
    Schuurman MS; Allen WD; Schaefer HF
    J Comput Chem; 2005 Aug; 26(11):1106-12. PubMed ID: 15934063
    [TBL] [Abstract][Full Text] [Related]  

  • 16. 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]  

  • 17. Theoretical prediction of the ionization energies of the C4H7 radicals: 1-methylallyl, 2-methylallyl, cyclopropylmethyl, and cyclobutyl radicals.
    Lau KC; Zheng W; Wong NB; Li WK
    J Chem Phys; 2007 Oct; 127(15):154302. PubMed ID: 17949144
    [TBL] [Abstract][Full Text] [Related]  

  • 18. 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]  

  • 19. High-level ab initio potential energy surfaces and vibrational energies of H2CS.
    Yachmenev A; Yurchenko SN; Ribeyre T; Thiel W
    J Chem Phys; 2011 Aug; 135(7):074302. PubMed ID: 21861565
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Simple coupled-cluster singles and doubles method with perturbative inclusion of triples and explicitly correlated geminals: The CCSD(T)R12 model.
    Valeev EF; Daniel Crawford T
    J Chem Phys; 2008 Jun; 128(24):244113. PubMed ID: 18601323
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 10.