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 *

196 related articles for article (PubMed ID: 16494392)

  • 1. A single transition state serves two mechanisms. The branching ratio for CH2O*- + CH3Cl on improved potential energy surfaces.
    Li J; Shaik S; Schlegel HB
    J Phys Chem A; 2006 Mar; 110(8):2801-6. PubMed ID: 16494392
    [TBL] [Abstract][Full Text] [Related]  

  • 2. 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]  

  • 3. Dissociation of acetone radical cation (CH3COCH3(+*) --> CH3CO(+) + CH3(*)): an ab initio direct classical trajectory study of the energy dependence of the branching ratio.
    Zhou J; Schlegel HB
    J Phys Chem A; 2008 Dec; 112(50):13121-7. PubMed ID: 18947216
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Post-transition state dynamics for propene ozonolysis: Intramolecular and unimolecular dynamics of molozonide.
    Vayner G; Addepalli SV; Song K; Hase WL
    J Chem Phys; 2006 Jul; 125(1):014317. PubMed ID: 16863308
    [TBL] [Abstract][Full Text] [Related]  

  • 5. A single transition state serves two mechanisms: an ab initio classical trajectory study of the electron transfer and substitution mechanisms in reactions of ketyl radical anions with alkyl halides.
    Bakken V; Danovich D; Shaik S; Schlegel HB
    J Am Chem Soc; 2001 Jan; 123(1):130-4. PubMed ID: 11273609
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Addition reaction of adamantylideneadamantane with Br2 and 2Br2: a computational study.
    Islam SM; Poirier RA
    J Phys Chem A; 2008 Jan; 112(1):152-9. PubMed ID: 18069807
    [TBL] [Abstract][Full Text] [Related]  

  • 7. An ab initio study on thermal rearrangement reactions of 1-silylprop-2-en-1-ol H3SiCH(OH)CH=CH2.
    Yu Y; Feng S; Feng D
    J Phys Chem A; 2005 Apr; 109(16):3663-8. PubMed ID: 16839032
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Ab initio classical trajectory study of the dissociation of neutral and positively charged methanimine (CH2NHn+ n = 0-2).
    Zhou J; Schlegel HB
    J Phys Chem A; 2009 Sep; 113(37):9958-64. PubMed ID: 19739680
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Direct ab initio dynamics calculation of the reaction rates of CH3OCl with OH.
    He HQ; Liu JY; Li ZS; Sun CC
    J Phys Chem A; 2005 Apr; 109(14):3235-40. PubMed ID: 16833653
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Theoretical study of the benzyl+O2 reaction: kinetics, mechanism, and product branching ratios.
    Murakami Y; Oguchi T; Hashimoto K; Nosaka Y
    J Phys Chem A; 2007 Dec; 111(50):13200-8. PubMed ID: 18041824
    [TBL] [Abstract][Full Text] [Related]  

  • 11. 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]  

  • 12. Ab initio energies and product branching ratios for the O+C3H6 reaction.
    DeBoer GD; Dodd JA
    J Phys Chem A; 2007 Dec; 111(50):12977-84. PubMed ID: 17999472
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Ab initio and direct quasiclassical-trajectory study of the Cl + CH4-->HCl + CH3 reaction.
    Troya D; Weiss PJ
    J Chem Phys; 2006 Feb; 124(7):74313. PubMed ID: 16497042
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Ab initio classical trajectory study of the fragmentation of C3H4 dications on the singlet and triplet surfaces.
    Psciuk BT; Tao P; Schlegel HB
    J Phys Chem A; 2010 Jul; 114(29):7653-60. PubMed ID: 20590146
    [TBL] [Abstract][Full Text] [Related]  

  • 15. 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]  

  • 16. Direct Ab initio dynamics study on the reaction of CH3CHF2 (HFC-152a) with the Cl atom.
    Sun H; He H; Liu J; Li Z; Pan X; Wang R
    Chemphyschem; 2008 Apr; 9(6):847-53. PubMed ID: 18357589
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Trajectory surface hopping study of the O(3P) + ethylene reaction dynamics.
    Hu W; Lendvay G; Maiti B; Schatz GC
    J Phys Chem A; 2008 Mar; 112(10):2093-103. PubMed ID: 18088105
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Thermal decomposition of decalin: an ab initio study.
    Chae K; Violi A
    J Org Chem; 2007 Apr; 72(9):3179-85. PubMed ID: 17394352
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Nonadiabatic ab initio dynamics of two models of Schiff base retinal.
    Ishida T; Nanbu S; Nakamura H
    J Phys Chem A; 2009 Apr; 113(16):4356-66. PubMed ID: 19298071
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Ab initio and direct quasiclassical-trajectory study of the F+CH4-->HF+CH3 reaction.
    Troya D
    J Chem Phys; 2005 Dec; 123(21):214305. PubMed ID: 16356046
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 10.