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 *

112 related articles for article (PubMed ID: 18278884)

  • 1. A quantum mechanical study of the decomposition of CF3OCF3 and CF3CF2OCF2CF3 in the presence of AlF3.
    Jiang B; Keffer DJ; Edwards BJ
    J Phys Chem A; 2008 Mar; 112(12):2604-9. PubMed ID: 18278884
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Computational study on the reaction CH2CH2 + F --> CH2CHF + H.
    Zhang MB; Yang ZZ
    J Phys Chem A; 2005 Jun; 109(21):4816-23. PubMed ID: 16833825
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Nitrous oxide decomposition over Fe-ZSM-5 in the presence of nitric oxide: a comprehensive DFT study.
    Heyden A; Hansen N; Bell AT; Keil FJ
    J Phys Chem B; 2006 Aug; 110(34):17096-114. PubMed ID: 16928005
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Theoretical study of the chemiluminescent decomposition of dioxetanone.
    Liu F; Liu Y; De Vico L; Lindh R
    J Am Chem Soc; 2009 May; 131(17):6181-8. PubMed ID: 19358608
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Transition state-finding strategies for use with the growing string method.
    Goodrow A; Bell AT; Head-Gordon M
    J Chem Phys; 2009 Jun; 130(24):244108. PubMed ID: 19566143
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Kinetic modeling of methyl butanoate in shock tube.
    Huynh LK; Lin KC; Violi A
    J Phys Chem A; 2008 Dec; 112(51):13470-80. PubMed ID: 19035670
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Probing protein environment in an enzymatic process: All-electron quantum chemical analysis combined with ab initio quantum mechanical/molecular mechanical modeling of chorismate mutase.
    Ishida T
    J Chem Phys; 2008 Sep; 129(12):125105. PubMed ID: 19045066
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Development and application of a hybrid method involving interpolation and ab initio calculations for the determination of transition states.
    Goodrow A; Bell AT; Head-Gordon M
    J Chem Phys; 2008 Nov; 129(17):174109. PubMed ID: 19045335
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Comparison of quantum dynamics and quantum transition state theory estimates of the H + CH4 reaction rate.
    Andersson S; Nyman G; Arnaldsson A; Manthe U; Jónsson H
    J Phys Chem A; 2009 Apr; 113(16):4468-78. PubMed ID: 19275158
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Roaming atoms and radicals: a new mechanism in molecular dissociation.
    Suits AG
    Acc Chem Res; 2008 Jul; 41(7):873-81. PubMed ID: 18582091
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Insertion of rare gas atoms into BF3 and AlF3 molecules: an ab initio investigation.
    Jayasekharan T; Ghanty TK
    J Chem Phys; 2006 Dec; 125(23):234106. PubMed ID: 17190546
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Thermal decomposition of trimethylgallium Ga(CH3)3: a shock-tube study and first-principles calculations.
    Fikri M; Makeich A; Rollmann G; Schulz C; Entel P
    J Phys Chem A; 2008 Jul; 112(28):6330-7. PubMed ID: 18578466
    [TBL] [Abstract][Full Text] [Related]  

  • 13. DFT research on the dehydroxylation reaction of pyrophyllite 2. Characterization of reactants, intermediates, and transition states along the reaction path.
    Molina-Montes E; Donadio D; Hernández-Laguna A; Sainz-Díaz CI
    J Phys Chem A; 2008 Jul; 112(28):6373-83. PubMed ID: 18563890
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Origin of the SN2 benzylic effect.
    Galabov B; Nikolova V; Wilke JJ; Schaefer HF; Allen WD
    J Am Chem Soc; 2008 Jul; 130(30):9887-96. PubMed ID: 18597451
    [TBL] [Abstract][Full Text] [Related]  

  • 15. The nature of the hydrogen bond: a synthesis from the interacting quantum atoms picture.
    Martín Pendás A; Blanco MA; Francisco E
    J Chem Phys; 2006 Nov; 125(18):184112. PubMed ID: 17115743
    [TBL] [Abstract][Full Text] [Related]  

  • 16. 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]  

  • 17. Calculating geochemical reaction pathways--exploration of the inner-sphere water exchange mechanism in Al(H2O)6(3+)(aq) + nH2O with ab Initio calculations and molecular dynamics.
    Evans RJ; Rustad JR; Casey WH
    J Phys Chem A; 2008 May; 112(17):4125-40. PubMed ID: 18366199
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Formation of a Criegee intermediate in the low-temperature oxidation of dimethyl sulfoxide.
    Asatryan R; Bozzelli JW
    Phys Chem Chem Phys; 2008 Apr; 10(13):1769-80. PubMed ID: 18350182
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Composition and structure of the alpha-AlF3(0001) surface.
    Wander A; Searle BG; Bailey CL; Harrison NM
    J Phys Chem B; 2005 Dec; 109(48):22935-8. PubMed ID: 16853988
    [TBL] [Abstract][Full Text] [Related]  

  • 20. The roles of electronic exchange and correlation in charge-transfer- to-solvent dynamics: Many-electron nonadiabatic mixed quantum/classical simulations of photoexcited sodium anions in the condensed phase.
    Glover WJ; Larsen RE; Schwartz BJ
    J Chem Phys; 2008 Oct; 129(16):164505. PubMed ID: 19045282
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 6.