BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

162 related articles for article (PubMed ID: 27651104)

  • 1. 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]  

  • 2. Computational Insights into S
    Feng H; Li R; Wu Y; Liu X
    Chemphyschem; 2024 Jan; 25(1):e202300525. PubMed ID: 37905393
    [TBL] [Abstract][Full Text] [Related]  

  • 3. 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]  

  • 4. 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]  

  • 5. Post-Transition State Dynamics in Gas Phase Reactivity: Importance of Bifurcations and Rotational Activation.
    Martín-Sómer A; Yáñez M; Hase WL; Gaigeot MP; Spezia R
    J Chem Theory Comput; 2016 Mar; 12(3):974-82. PubMed ID: 26820235
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Identification of atomic-level mechanisms for gas-phase X- + CH3Y SN2 reactions by combined experiments and simulations.
    Xie J; Otto R; Mikosch J; Zhang J; Wester R; Hase WL
    Acc Chem Res; 2014 Oct; 47(10):2960-9. PubMed ID: 25120237
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Potential energy surface stationary points and dynamics of the F
    Ma YT; Ma X; Li A; Guo H; Yang L; Zhang J; Hase WL
    Phys Chem Chem Phys; 2017 Aug; 19(30):20127-20136. PubMed ID: 28726900
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Chemical dynamics simulations of X- + CH3Y → XCH3 + Y- gas-phase S(N)2 nucleophilic substitution reactions. Nonstatistical dynamics and nontraditional reaction mechanisms.
    Manikandan P; Zhang J; Hase WL
    J Phys Chem A; 2012 Mar; 116(12):3061-80. PubMed ID: 22313150
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Quasiclassical Direct Dynamics Trajectory Simulations of Organometallic Reactions.
    Ess DH
    Acc Chem Res; 2021 Dec; 54(23):4410-4422. PubMed ID: 34761673
    [TBL] [Abstract][Full Text] [Related]  

  • 10. 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]  

  • 11. Computational analysis of the mechanism of chemical reactions in terms of reaction phases: hidden intermediates and hidden transition States.
    Kraka E; Cremer D
    Acc Chem Res; 2010 May; 43(5):591-601. PubMed ID: 20232791
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Double-inversion mechanisms of the X⁻ + CH₃Y [X,Y = F, Cl, Br, I] SN2 reactions.
    Szabó I; Czakó G
    J Phys Chem A; 2015 Mar; 119(12):3134-40. PubMed ID: 25746441
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Perspective: chemical dynamics simulations of non-statistical reaction dynamics.
    Ma X; Hase WL
    Philos Trans A Math Phys Eng Sci; 2017 Apr; 375(2092):. PubMed ID: 28320906
    [TBL] [Abstract][Full Text] [Related]  

  • 14. High-Level Systematic Ab Initio Comparison of Carbon- and Silicon-Centered S
    Dékány AÁ; Kovács GZ; Czakó G
    J Phys Chem A; 2021 Nov; 125(44):9645-9657. PubMed ID: 34709818
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Theoretical analysis of gas-phase front-side attack identity S(N)2(C) and S(N)2(Si) reactions with retention of configuration.
    Yang ZZ; Ding YL; Zhao DX
    J Phys Chem A; 2009 May; 113(18):5432-45. PubMed ID: 19354223
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Infrared laser spectroscopy of CH3...HF in helium nanodroplets: The exit-channel complex of the F + CH4 reaction.
    Merritt JM; Rudić S; Miller RE
    J Chem Phys; 2006 Feb; 124(8):084301. PubMed ID: 16512710
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Nucleophilicity-periodic trends and connection to basicity.
    Uggerud E
    Chemistry; 2006 Jan; 12(4):1127-36. PubMed ID: 16247828
    [TBL] [Abstract][Full Text] [Related]  

  • 18. A SN2 reaction that avoids its deep potential energy minimum.
    Sun L; Song K; Hase WL
    Science; 2002 May; 296(5569):875-8. PubMed ID: 11988565
    [TBL] [Abstract][Full Text] [Related]  

  • 19. The effect of anions on noncovalent interactions in model clusters of chalcogen-containing (CH
    McDowell SAC
    Phys Chem Chem Phys; 2018 Jul; 20(27):18420-18428. PubMed ID: 29947388
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Nucleophilic substitution at the imidoyl carbon atom: intermediate mechanistic and reactivity behavior between carbonyl and vinyl carbon substitution.
    Li HG; Kim CK; Lee BS; Kim CK; Rhee SK; Lee I
    J Am Chem Soc; 2001 Mar; 123(10):2326-33. PubMed ID: 11456881
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 9.