Liu JY - Search Results

1

Theoretical study and rate constant calculation for reaction of CF(3)CH(2)OH with OH.

Wang Y, Liu JY, Li ZS, Wang L, Sun CC. Wang Y, et al. Among authors: liu jy. J Comput Chem. 2007 Mar;28(4):802-10. doi: 10.1002/jcc.20592. J Comput Chem. 2007. PMID: 17226830

2

DFT and ab initio direct dynamics studies on the hydrogen abstraction reactions of chlorine atoms with CH(4-n)F(n) (n = 1-3).

Xiao JF, Li ZS, Liu JY, Sheng L, Sun CC. Xiao JF, et al. Among authors: liu jy. J Comput Chem. 2002 Nov 30;23(15):1456-65. doi: 10.1002/jcc.10165. J Comput Chem. 2002. PMID: 12370947

3

Calculations of the rate constants for the hydrogen abstraction reactions C2H3 + CH4-->C2H4 + CH3 and C2H3 + C2H6-->C2H4 + C2H5.

Liu GX, Li ZS, Xiao JF, Liu JY, Fu Q, Huang XR, Sun CC, Tang AC. Liu GX, et al. Among authors: liu jy. Chemphyschem. 2002 Jul 2;3(7):625-9. doi: 10.1002/1439-7641(20020715)3:7<625::AID-CPHC625>3.0.CO;2-A. Chemphyschem. 2002. PMID: 12503165 No abstract available.

4

Dual-level direct dynamics studies for the reactions of dimethyl ether with hydrogen atom and methyl radical.

Wu JY, Liu JY, Li ZS, Huang XR, Sun CC. Wu JY, et al. Among authors: liu jy. J Comput Chem. 2003 Apr 15;24(5):593-600. doi: 10.1002/jcc.10219. J Comput Chem. 2003. PMID: 12632473

5

Ab initio direct dynamics studies on the reaction of H atom with CH3CH2Cl.

Sheng L, Li ZS, Liu JY, Xiao JF, Sun CC. Sheng L, et al. Among authors: liu jy. J Comput Chem. 2004 Jan 15;25(1):72-82. doi: 10.1002/jcc.10305. J Comput Chem. 2004. PMID: 14634995

6

Theoretical study on the rate constants for the C2H5 + HBr --> C2H6 + Br reaction.

Sheng L, Li ZS, Liu JY, Xiao JF, Sun CC. Sheng L, et al. Among authors: liu jy. J Comput Chem. 2004 Feb;25(3):423-8. doi: 10.1002/jcc.10388. J Comput Chem. 2004. PMID: 14696076

7

Direct ab initio dynamics studies on the hydrogen-abstraction reactions of OH radicals with HOX (X = F, Cl, and Br).

Wang L, Liu JY, Li ZS, Sun CC. Wang L, et al. Among authors: liu jy. J Comput Chem. 2004 Mar;25(4):558-64. doi: 10.1002/jcc.10403. J Comput Chem. 2004. PMID: 14735573

8

Theoretical study on the mechanism of the 1CHCl + NO2 reactions.

Zhang JX, Liu JY, Li ZS, Sun CC. Zhang JX, et al. Among authors: liu jy. J Comput Chem. 2004 Jul 15;25(9):1184-90. doi: 10.1002/jcc.20043. J Comput Chem. 2004. PMID: 15116361

9

Theoretical studies on dynamics and thermochemistry of the reactions CF(3)CHCl(2)+Cl-->CF(3)CCl(2)+HCl and CF(3)CHFCl+Cl-->CF(3)CFCl+HCl.

Li B, Liu JY, Li ZS, Wu JY, Sun CC. Li B, et al. Among authors: liu jy. J Chem Phys. 2004 Apr 1;120(13):6019-27. doi: 10.1063/1.1651475. J Chem Phys. 2004. PMID: 15267484

10

Theoretical study on reaction mechanism of the fluoromethylene radical with nitrogen dioxide.

Zhang JX, Liu JY, Li ZS, Sun CC. Zhang JX, et al. Among authors: liu jy. J Comput Chem. 2004 Nov 30;25(15):1888-94. doi: 10.1002/jcc.20121. J Comput Chem. 2004. PMID: 15376249

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