Zhang J - Search Results

1

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. Xie J, et al. Among authors: zhang j. Acc Chem Res. 2014 Oct 21;47(10):2960-9. doi: 10.1021/ar5001764. Epub 2014 Aug 14. Acc Chem Res. 2014. PMID: 25120237 Review.

2

Imaging nucleophilic substitution dynamics.

Mikosch J, Trippel S, Eichhorn C, Otto R, Lourderaj U, Zhang JX, Hase WL, Weidemüller M, Wester R. Mikosch J, et al. Among authors: zhang jx. Science. 2008 Jan 11;319(5860):183-6. doi: 10.1126/science.1150238. Science. 2008. PMID: 18187650

3

Quantum chemical calculations of the Cl- + CH3I --> CH3Cl + I- potential energy surface.

Zhang J, Lourderaj U, Addepalli SV, de Jong WA, Hase WL. Zhang J, et al. J Phys Chem A. 2009 Mar 12;113(10):1976-84. doi: 10.1021/jp808146c. J Phys Chem A. 2009. PMID: 19115824

4

Theoretical investigation of mechanisms for the gas-phase unimolecular decomposition of DMMP.

Yang L, Shroll RM, Zhang J, Lourderaj U, Hase WL. Yang L, et al. Among authors: zhang j. J Phys Chem A. 2009 Dec 10;113(49):13762-71. doi: 10.1021/jp904232n. J Phys Chem A. 2009. PMID: 19902938

5

Electronic structure theory study of the F(-) + CH(3)I → FCH(3) + I(-) potential energy surface.

Zhang J, Hase WL. Zhang J, et al. J Phys Chem A. 2010 Sep 16;114(36):9635-43. doi: 10.1021/jp1002337. J Phys Chem A. 2010. PMID: 20443540

6

The need for enzymatic steering in abietic acid biosynthesis: gas-phase chemical dynamics simulations of carbocation rearrangements on a bifurcating potential energy surface.

Siebert MR, Zhang J, Addepalli SV, Tantillo DJ, Hase WL. Siebert MR, et al. Among authors: zhang j. J Am Chem Soc. 2011 Jun 1;133(21):8335-43. doi: 10.1021/ja201730y. Epub 2011 May 6. J Am Chem Soc. 2011. PMID: 21548620

7

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. Manikandan P, et al. Among authors: zhang j. J Phys Chem A. 2012 Mar 29;116(12):3061-80. doi: 10.1021/jp211387c. Epub 2012 Feb 23. J Phys Chem A. 2012. PMID: 22313150

8

Indirect dynamics in a highly exoergic substitution reaction.

Mikosch J, Zhang J, Trippel S, Eichhorn C, Otto R, Sun R, de Jong WA, Weidemüller M, Hase WL, Wester R. Mikosch J, et al. Among authors: zhang j. J Am Chem Soc. 2013 Mar 20;135(11):4250-9. doi: 10.1021/ja308042v. Epub 2013 Feb 14. J Am Chem Soc. 2013. PMID: 23324058

9

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. Zhang J, et al. J Chem Phys. 2013 Mar 21;138(11):114309. doi: 10.1063/1.4795495. J Chem Phys. 2013. PMID: 23534641

10

Comparison of direct dynamics simulations with different electronic structure methods. F(-) + CH3I with MP2 and DFT/B97-1.

Sun R, Davda CJ, Zhang J, Hase WL. Sun R, et al. Among authors: zhang j. Phys Chem Chem Phys. 2015 Jan 28;17(4):2589-97. doi: 10.1039/c4cp03589e. Epub 2014 Dec 10. Phys Chem Chem Phys. 2015. PMID: 25494478

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