BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

327 related articles for article (PubMed ID: 19290605)

  • 1. 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]  

  • 2. 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]  

  • 3. Potential energy surface and unimolecular dynamics of stretched n-butane.
    Lourderaj U; McAfee JL; Hase WL
    J Chem Phys; 2008 Sep; 129(9):094701. PubMed ID: 19044880
    [TBL] [Abstract][Full Text] [Related]  

  • 4. A computational study of conformational interconversions in 1,4-dithiacyclohexane (1,4-dithiane).
    Freeman F; Derek E
    J Comput Chem; 2003 Jun; 24(8):909-19. PubMed ID: 12720311
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Direct dynamics simulation of dioxetane formation and decomposition via the singlet ·O-O-CH2-CH2· biradical: non-RRKM dynamics.
    Sun R; Park K; de Jong WA; Lischka H; Windus TL; Hase WL
    J Chem Phys; 2012 Jul; 137(4):044305. PubMed ID: 22852616
    [TBL] [Abstract][Full Text] [Related]  

  • 6. 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]  

  • 7. New insights into an old reaction. High-resolution x-ray powder diffraction of Wiberg's aminoalane intermediate.
    Dinnebier R; Müller J
    Inorg Chem; 2003 Feb; 42(4):1204-10. PubMed ID: 12588158
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Theoretical and computational studies of non-RRKM unimolecular dynamics.
    Lourderaj U; Hase WL
    J Phys Chem A; 2009 Mar; 113(11):2236-53. PubMed ID: 19243125
    [TBL] [Abstract][Full Text] [Related]  

  • 9. 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]  

  • 10. Chair, boat and twist conformation of dodecamethylcyclohexasilane and undecamethylcyclohexasilane: a combined DFT and Raman spectroscopic study.
    Tekautz G; Binter A; Hassler K; Flock M
    Chemphyschem; 2006 Feb; 7(2):421-9. PubMed ID: 16411262
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Non-RRKM dynamics in the CH3O2 + NO reaction system.
    Stimac PJ; Barker JR
    J Phys Chem A; 2008 Mar; 112(12):2553-62. PubMed ID: 18318515
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Comparisons of classical chemical dynamics simulations of the unimolecular decomposition of classical and quantum microcanonical ensembles.
    Manikandan P; Hase WL
    J Chem Phys; 2012 May; 136(18):184110. PubMed ID: 22583280
    [TBL] [Abstract][Full Text] [Related]  

  • 13. 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]  

  • 14. Bimolecular recombination reactions: K-adiabatic and K-active forms of RRKM theory, nonstatistical aspects, low-pressure rates, and time-dependent survival probabilities with application to ozone. 2.
    Ghaderi N; Marcus RA
    J Phys Chem A; 2014 Nov; 118(44):10166-78. PubMed ID: 25215533
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Comparisons of classical and Wigner sampling of transition state energy levels for quasiclassical trajectory chemical dynamics simulations.
    Sun L; Hase WL
    J Chem Phys; 2010 Jul; 133(4):044313. PubMed ID: 20687656
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Dynamics of flexible cycloalkanes. Ab initio and DFT study of the conformational energy hypersurface of cyclononane.
    Suvire FD; Santagata LN; Bombasaro JA; Enriz RD
    J Comput Chem; 2006 Jan; 27(2):188-202. PubMed ID: 16323160
    [TBL] [Abstract][Full Text] [Related]  

  • 17. 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]  

  • 18. Direct Dynamics Simulations of the Unimolecular Decomposition of the Randomly Excited
    Yao Y; Lakshmanan S; Pratihar S; Hase WL
    J Phys Chem A; 2020 Mar; 124(9):1821-1828. PubMed ID: 32024358
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Can the C(5)H(5) + C(5)H(5) --> C(10)H(10) --> C(10)H(9) + H/C(10)H(8) + H(2) reaction produce naphthalene? An Ab initio/RRKM study.
    Mebel AM; Kislov VV
    J Phys Chem A; 2009 Sep; 113(36):9825-33. PubMed ID: 19681629
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Dynamics effects on an E2/E1cb borderline mechanism: unimolecular elimination of 2-aryl-3-chloro-2-R-propanols.
    Itoh S; Yamataka H
    Chemistry; 2011 Jan; 17(4):1230-7. PubMed ID: 21243689
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 17.