Sun CC - Search Results

1

Ab initio studies on isomers of macropolyhedral borane ions [B20H18]n (n = 0, -2, -4).

Zhang J, Zhang M, Zhao Y, Chen B, Sun CC. Zhang J, et al. Among authors: sun cc. J Comput Chem. 2006 Nov 30;27(15):1817-21. doi: 10.1002/jcc.20511. J Comput Chem. 2006. PMID: 16981235

2

Structure and properties of polycoordinate planar boron compounds.

Zhao YY, Zhang MY, Xu SH, Sun CC. Zhao YY, et al. Among authors: sun cc. J Chem Phys. 2007 Jan 28;126(4):044303. doi: 10.1063/1.2428288. J Chem Phys. 2007. PMID: 17286466

3

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: sun cc. J Comput Chem. 2004 Mar;25(4):558-64. doi: 10.1002/jcc.10403. J Comput Chem. 2004. PMID: 14735573

4

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: sun cc. J Comput Chem. 2002 Nov 30;23(15):1456-65. doi: 10.1002/jcc.10165. J Comput Chem. 2002. PMID: 12370947

5

Structural and electronic properties of boron-doped lithium clusters: ab initio and DFT studies.

Li Y, Wu D, Li ZR, Sun CC. Li Y, et al. Among authors: sun cc. J Comput Chem. 2007 Jul 30;28(10):1677-84. doi: 10.1002/jcc.20637. J Comput Chem. 2007. PMID: 17342718

6

Direct ab initio dynamics study on the rate constants and kinetic isotope effect for the reactions of H atoms with GeDn(CH3)4-n (n = 1-4).

Wu Y, Ding YH, Xiao JF, Li ZS, Huang XR, Sun CC. Wu Y, et al. Among authors: sun cc. J Comput Chem. 2002 Nov 15;23(14):1366-74. doi: 10.1002/jcc.10137. J Comput Chem. 2002. PMID: 12214319

7

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: sun cc. J Comput Chem. 2004 Jan 15;25(1):72-82. doi: 10.1002/jcc.10305. J Comput Chem. 2004. PMID: 14634995

8

Theoretical study on the [Si, C, N, O] potential energy surface.

Yu GT, Huang XR, Ding YH, Sun CC, Tang AC. Yu GT, et al. Among authors: sun cc. J Comput Chem. 2006 Apr 30;27(6):749-61. doi: 10.1002/jcc.20376. J Comput Chem. 2006. PMID: 16526039

9

Theoretical study on the mechanism of the 1CHCl + NO reaction.

Liu JJ, Ding YH, Tao YG, Feng JK, Sun CC. Liu JJ, et al. Among authors: sun cc. J Comput Chem. 2002 Apr 30;23(6):625-49. doi: 10.1002/jcc.10057. J Comput Chem. 2002. PMID: 11939596

10

Theoretical study on the mechanism of the (3)CH(2) + NO(2) reaction.

Liu JJ, Ding YH, Tao YG, Feng JK, Sun CC. Liu JJ, et al. Among authors: sun cc. J Comput Chem. 2002 Aug;23(11):1031-44. doi: 10.1002/jcc.10075. J Comput Chem. 2002. PMID: 12116390

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