BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

537 related articles for article (PubMed ID: 16784270)

  • 1. Multireference configuration interaction calculations for the F(2P)+HCl-->HF+Cl(2P) reaction: a correlation scaled ground state (1 2A') potential energy surface.
    Deskevich MP; Hayes MY; Takahashi K; Skodje RT; Nesbitt DJ
    J Chem Phys; 2006 Jun; 124(22):224303. PubMed ID: 16784270
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Evidence for excited spin-orbit state reaction dynamics in F+H2: theory and experiment.
    Lique F; Alexander MH; Li G; Werner HJ; Nizkorodov SA; Harper WW; Nesbitt DJ
    J Chem Phys; 2008 Feb; 128(8):084313. PubMed ID: 18315052
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Ab initio treatment of the chemical reaction precursor complex Cl(2P)-HF. 1. Three-dimensional diabatic potential energy surfaces.
    Fishchuk AV; Wormer PE; van der Avoird A
    J Phys Chem A; 2006 Apr; 110(16):5273-9. PubMed ID: 16623452
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Study of the C(3P) + OH(X2Pi) --> CO(a3Pi) + H(2S) reaction: fully global ab initio potential energy surfaces of the 12A'' and 14A'' excited states and non adiabatic couplings.
    Zanchet A; Bussery-Honvault B; Jorfi M; Honvault P
    Phys Chem Chem Phys; 2009 Aug; 11(29):6182-91. PubMed ID: 19606328
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Theory of the photodissociation of ozone in the Hartley continuum: potential energy surfaces, conical intersections, and photodissociation dynamics.
    Baloïtcha E; Balint-Kurti GG
    J Chem Phys; 2005 Jul; 123(1):014306. PubMed ID: 16035834
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Dynamically weighted multiconfiguration self-consistent field: multistate calculations for F+H2O-->HF+OH reaction paths.
    Deskevich MP; Nesbitt DJ; Werner HJ
    J Chem Phys; 2004 Apr; 120(16):7281-9. PubMed ID: 15267637
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Potential energy surface for ground-state H2S via scaling of the external correlation, comparison with extrapolation to complete basis set limit, and use in reaction dynamics.
    Song YZ; Caridade PJ; Varandas AJ
    J Phys Chem A; 2009 Aug; 113(32):9213-9. PubMed ID: 19624111
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Theoretical study of the photoinduced transfer among the ground state and two metastable states in [Fe(CN)5NO]2-.
    Ishikawa T; Tanaka K
    J Chem Phys; 2005 Feb; 122(7):074314. PubMed ID: 15743239
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Ab initio study of the reactions of Ga(2P, 2S, and 2P) with methane.
    Pacheco-Sanchez JH; Luna-Garcia H; Castillo S
    J Chem Phys; 2004 Mar; 120(9):4240-6. PubMed ID: 15268591
    [TBL] [Abstract][Full Text] [Related]  

  • 10. A quantum chemistry study of the Cl atom reaction with formaldehyde.
    Gruber-Stadler M; Mühlhäuser M; Sellevåg SR; Nielsen CJ
    J Phys Chem A; 2008 Jan; 112(1):9-22. PubMed ID: 18069803
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Ab initio potential-energy surface for the reaction Ca+HCl-->CaCl+H.
    Verbockhaven G; Sanz C; Groenenboom GC; Roncero O; van der Avoird A
    J Chem Phys; 2005 May; 122(20):204307. PubMed ID: 15945724
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Collision energy dependence of the O(1D) + HCl --> OH + Cl(2P) reaction studied by crossed beam scattering and quasiclassical trajectory calculations on ab initio potential energy surfaces.
    Kohguchi H; Suzuki T; Nanbu S; Ishida T; Mil'nikov GV; Oloyede P; Nakamura H
    J Phys Chem A; 2008 Feb; 112(5):818-25. PubMed ID: 18189375
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Study of the C(3P) + OH(X2Pi) --> CO(X1Sigma(g)+) + H(2S) reaction: a fully global ab initio potential energy surface of the X2A' state.
    Zanchet A; Bussery-Honvault B; Honvault P
    J Phys Chem A; 2006 Nov; 110(43):12017-25. PubMed ID: 17064191
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Multireference configuration interaction studies on the ground and excited states of N2O2: the potential energy curves of N2O2 along N-N distance.
    Li Y; Vo CK
    J Chem Phys; 2006 Sep; 125(9):094303. PubMed ID: 16965076
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Dissociation of ground and nsigma* states of CF3Cl using multireference configuration interaction with singles and doubles and with multireference average quadratic coupled cluster extensivity corrections.
    Lucena JR; Ventura E; do Monte SA; Araújo RC; Ramos MN; Fausto R
    J Chem Phys; 2007 Oct; 127(16):164320. PubMed ID: 17979351
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Accurate ab initio double many-body expansion potential energy surface for ground-state H2S by extrapolation to the complete basis set limit.
    Song YZ; Varandas AJ
    J Chem Phys; 2009 Apr; 130(13):134317. PubMed ID: 19355742
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Potential-energy surface for the electronic ground state of NH3 up to 20,000 cm-1 above equilibrium.
    Yurchenko SN; Zheng J; Lin H; Jensen P; Thiel W
    J Chem Phys; 2005 Oct; 123(13):134308. PubMed ID: 16223289
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Low-lying quartet electronic states of nitrogen dioxide.
    Bera PP; Yamaguchi Y; Schaefer HF
    J Chem Phys; 2007 Nov; 127(17):174303. PubMed ID: 17994814
    [TBL] [Abstract][Full Text] [Related]  

  • 19. An ab initio spin-orbit-corrected potential energy surface and dynamics for the F + CH4 and F + CHD3 reactions.
    Czakó G; Bowman JM
    Phys Chem Chem Phys; 2011 May; 13(18):8306-12. PubMed ID: 21311810
    [TBL] [Abstract][Full Text] [Related]  

  • 20. New ab initio coupled potential energy surfaces for the Br(2P(3∕2), 2P(1∕2)) + H2 reaction.
    Jiang B; Xie C; Xie D
    J Chem Phys; 2011 Oct; 135(16):164311. PubMed ID: 22047243
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 27.