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 *

644 related articles for article (PubMed ID: 17929780)

  • 1. Low-lying electronic states of M(3)O(9)(-) and M(3)O(9)(2-) (M = Mo, W).
    Li S; Dixon DA
    J Phys Chem A; 2007 Nov; 111(43):11093-9. PubMed ID: 17929780
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Benchmark calculations on the electron detachment energies of MO3* and M2O6* (M = Cr, Mo, W).
    Li S; Dixon DA
    J Phys Chem A; 2007 Nov; 111(46):11908-21. PubMed ID: 17958402
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Structural and electronic properties of reduced transition metal oxide clusters, M3O8 and M3O8- (M = Cr, W), from photoelectron spectroscopy and quantum chemical calculations.
    Li S; Zhai HJ; Wang LS; Dixon DA
    J Phys Chem A; 2009 Oct; 113(42):11273-88. PubMed ID: 19785452
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Structural and electronic properties of reduced transition metal oxide clusters, M4O10 and M4O10- (M = Cr, W), from photoelectron spectroscopy and quantum chemical calculations.
    Li S; Zhai HJ; Wang LS; Dixon DA
    J Phys Chem A; 2012 May; 116(21):5256-71. PubMed ID: 22551114
    [TBL] [Abstract][Full Text] [Related]  

  • 5. 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]  

  • 6. Molecular structures and energetics of the (TiO2)n (n = 1-4) clusters and their anions.
    Li S; Dixon DA
    J Phys Chem A; 2008 Jul; 112(29):6646-66. PubMed ID: 18578514
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Molecular structures and energetics of the (ZrO(2))(n) and (HfO(2))(n) (n = 1-4) clusters and their anions.
    Li S; Dixon DA
    J Phys Chem A; 2010 Feb; 114(7):2665-83. PubMed ID: 20128586
    [TBL] [Abstract][Full Text] [Related]  

  • 8. 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]  

  • 9. Comparison of density functionals for energy and structural differences between the high- [5T2g:(t2g)4(eg)2] and low- [1A1g:(t2g)6(eg)0] spin states of iron(II) coordination compounds. II. More functionals and the hexaminoferrous cation, [Fe(NH3)6]2+.
    Fouqueau A; Casida ME; Lawson Daku LM; Hauser A; Neese F
    J Chem Phys; 2005 Jan; 122(4):44110. PubMed ID: 15740238
    [TBL] [Abstract][Full Text] [Related]  

  • 10. A comparative relativistic DFT and ab initio study on the structure and thermodynamics of the oxofluorides of uranium(IV), (V) and (VI).
    Shamov GA; Schreckenbach G; Vo TN
    Chemistry; 2007; 13(17):4932-47. PubMed ID: 17373000
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Accurate thermochemistry for transition metal oxide clusters.
    Li S; Hennigan JM; Dixon DA; Peterson KA
    J Phys Chem A; 2009 Jul; 113(27):7861-77. PubMed ID: 19518063
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Structures of Mo(x)W(3-x)O(6) (x = 0-3) anion and neutral clusters determined by anion photoelectron spectroscopy and density functional theory calculations.
    Rothgeb DW; Hossain E; Kuo AT; Troyer JL; Jarrold CC
    J Chem Phys; 2009 Jul; 131(4):044310. PubMed ID: 19655870
    [TBL] [Abstract][Full Text] [Related]  

  • 13. 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]  

  • 14. Quantum chemical study of the electronic structure of NiCH2 + in its ground state and low-lying electronic excited states.
    Villaume S; Daniel C; Strich A; Perera SA; Bartlett RJ
    J Chem Phys; 2005 Jan; 122(4):44313. PubMed ID: 15740254
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Electronic structure of the hydroxo and methoxo oxometalate anions MO3(OH)- and MO3(OCH3)- (M = Cr, Mo, and W).
    Waters T; Wang XB; Li S; Kiran B; Dixon DA; Wang LS
    J Phys Chem A; 2005 Dec; 109(51):11771-80. PubMed ID: 16366627
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Comparative studies of the spectroscopy of CuCl2: DFT versus standard ab initio approaches.
    Ramírez-Solís A; Poteau R; Vela A; Daudey JP
    J Chem Phys; 2005 Apr; 122(16):164306. PubMed ID: 15945683
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Comparison of DFT methods for molecular orbital eigenvalue calculations.
    Zhang G; Musgrave CB
    J Phys Chem A; 2007 Mar; 111(8):1554-61. PubMed ID: 17279730
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Influence of molecular geometry, exchange-correlation functional, and solvent effects in the modeling of vertical excitation energies in phthalocyanines using time-dependent density functional theory (TDDFT) and polarized continuum model TDDFT methods: can modern computational chemistry methods explain experimental controversies?
    Nemykin VN; Hadt RG; Belosludov RV; Mizuseki H; Kawazoe Y
    J Phys Chem A; 2007 Dec; 111(50):12901-13. PubMed ID: 18004829
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Accuracy and limitations of second-order many-body perturbation theory for predicting vertical detachment energies of solvated-electron clusters.
    Herbert JM; Head-Gordon M
    Phys Chem Chem Phys; 2006 Jan; 8(1):68-78. PubMed ID: 16482246
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Coupled cluster and density functional studies on geometries and energies of excited C(2v) states of ozone.
    Grein F
    J Chem Phys; 2009 Mar; 130(12):124118. PubMed ID: 19334819
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 33.