BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

259 related articles for article (PubMed ID: 29031273)

  • 1. Post-transition state dynamics and product energy partitioning following thermal excitation of the F⋯HCH
    Pratihar S; Ma X; Xie J; Scott R; Gao E; Ruscic B; Aquino AJA; Setser DW; Hase WL
    J Chem Phys; 2017 Oct; 147(14):144301. PubMed ID: 29031273
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Ab initio direct dynamics trajectory simulation of C2H5F-->C2H4 + HF product energy partitioning.
    Sun L; Hase WL
    J Chem Phys; 2004 Nov; 121(18):8831-45. PubMed ID: 15527346
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Comparison of levels of electronic structure theory in direct dynamics simulations of C2H5F --> HF + C2H4 product energy partitioning.
    Dong E; Setser DW; Hase WL; Song K
    J Phys Chem A; 2006 Feb; 110(4):1484-90. PubMed ID: 16435808
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Use of a single trajectory to study product energy partitioning in unimolecular dissociation: mass effects for halogenated alkanes.
    Sun L; Park K; Song K; Setser DW; Hase WL
    J Chem Phys; 2006 Feb; 124(6):64313. PubMed ID: 16483213
    [TBL] [Abstract][Full Text] [Related]  

  • 5. On-the-fly ab initio trajectory calculations of the dynamics of Cl atom reactions with methane, ethane and methanol.
    Rudić S; Murray C; Harvey JN; Orr-Ewing AJ
    J Chem Phys; 2004 Jan; 120(1):186-98. PubMed ID: 15267276
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Cyclohexane isomerization. Unimolecular dynamics of the twist-boat intermediate.
    Kakhiani K; Lourderaj U; Hu W; Birney D; Hase WL
    J Phys Chem A; 2009 Apr; 113(16):4570-80. PubMed ID: 19290605
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Dynamics of the F(-) + CH3I → HF + CH2I(-) Proton Transfer Reaction.
    Zhang J; Xie J; Hase WL
    J Phys Chem A; 2015 Dec; 119(50):12517-25. PubMed ID: 26473337
    [TBL] [Abstract][Full Text] [Related]  

  • 8. A direct dynamics trajectory study of F- + CH(3)OOH reactive collisions reveals a major non-IRC reaction path.
    López JG; Vayner G; Lourderaj U; Addepalli SV; Kato S; deJong WA; Windus TL; Hase WL
    J Am Chem Soc; 2007 Aug; 129(32):9976-85. PubMed ID: 17658801
    [TBL] [Abstract][Full Text] [Related]  

  • 9. An ab initio based full-dimensional global potential energy surface for FH2O(X2A') and dynamics for the F + H2O → HF + HO reaction.
    Li J; Dawes R; Guo H
    J Chem Phys; 2012 Sep; 137(9):094304. PubMed ID: 22957566
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Dynamical Bifurcation in Gas-Phase XH
    Proenza YG; de Souza MA; Longo RL
    Chemistry; 2016 Nov; 22(45):16220-16229. PubMed ID: 27651104
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Simulation studies of the Cl- + CH3I SN2 nucleophilic substitution reaction: comparison with ion imaging experiments.
    Zhang J; Lourderaj U; Sun R; Mikosch J; Wester R; Hase WL
    J Chem Phys; 2013 Mar; 138(11):114309. PubMed ID: 23534641
    [TBL] [Abstract][Full Text] [Related]  

  • 12. The Unimolecular Reactions of CF
    Smith CA; Gillespie BR; Heard GL; Setser DW; Holmes BE
    J Phys Chem A; 2017 Nov; 121(46):8746-8756. PubMed ID: 28926250
    [TBL] [Abstract][Full Text] [Related]  

  • 13. The interplay and strength of the π⋯HF, C⋯HF, F⋯HF and F⋯HC hydrogen bonds upon the formation of multimolecular complexes based on C
    Carvalho LC; Bueno MA; de Oliveira BG
    Spectrochim Acta A Mol Biomol Spectrosc; 2019 Apr; 213():438-455. PubMed ID: 30738351
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Dynamical resonances in the fluorine atom reaction with the hydrogen molecule.
    Yang X; Zhang DH
    Acc Chem Res; 2008 Aug; 41(8):981-9. PubMed ID: 18710199
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Effect of Reagent Vibrational Excitation on the Dynamics of F + H2(v = 1, j = 0) → HF(v', j') + H Reaction.
    Yang T; Huang L; Wang T; Xiao C; Xie Y; Sun Z; Dai D; Chen M; Zhang D; Yang X
    J Phys Chem A; 2015 Dec; 119(50):12284-90. PubMed ID: 26299775
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Quasiclassical trajectory calculations of correlated product distributions for the F + CHD3(v1 = 0, 1) reactions using an ab initio potential energy surface.
    Czakó G; Bowman JM
    J Chem Phys; 2009 Dec; 131(24):244302. PubMed ID: 20059068
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Quasiclassical trajectory calculations analyzing the role of vibrational and translational energy in the F + CH2D2 reaction.
    Espinosa-García J
    J Chem Phys; 2009 Feb; 130(5):054305. PubMed ID: 19206971
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Computational study of the reaction of fluorine atom with acetone.
    Li Y; Li H; Hou H; Wang B
    J Phys Chem A; 2005 Apr; 109(14):3166-73. PubMed ID: 16833645
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Direct dynamic study on the hydrogen abstraction reaction CH3CN + OH-->CH2CN + H2O.
    Li QS; Wang CY
    J Comput Chem; 2004 Jan; 25(2):251-7. PubMed ID: 14648623
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Role of an ethyl radical and the problem of HF(v) bimodal vibrational distribution in the F(
    Espinosa-Garcia J; Garcia-Chamorro M
    Phys Chem Chem Phys; 2018 Nov; 20(41):26634-26642. PubMed ID: 30318524
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 13.