Huang XR - Search Results

1

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: huang xr. 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.

2

SiCNN--a new stable isomer with Si(triple bond)C triple bonding.

Ding YH, Li ZS, Huang XR, Sun CC. Ding YH, et al. Among authors: huang xr. Chemistry. 2001 Apr 1;7(7):1539-45. doi: 10.1002/1521-3765(20010401)7:7<1539::aid-chem1539>3.0.co;2-4. Chemistry. 2001. PMID: 11330910

3

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: huang xr. J Comput Chem. 2002 Nov 15;23(14):1366-74. doi: 10.1002/jcc.10137. J Comput Chem. 2002. PMID: 12214319

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: huang xr. J Comput Chem. 2003 Apr 15;24(5):593-600. doi: 10.1002/jcc.10219. J Comput Chem. 2003. PMID: 12632473

5

Si2CN: a stable nitrogen-containing radical with cyclic ground state.

Chen GH, Ding YH, Huang XR, Yu JK, Sun CC. Chen GH, et al. Among authors: huang xr. J Chem Phys. 2004 May 8;120(18):8512-20. doi: 10.1063/1.1691399. J Chem Phys. 2004. PMID: 15267777

6

Role of each residue in catalysis in the active site of pyrimidine nucleoside phosphorylase from Bacillus subtilis: a hybrid QM/MM study.

Gao XF, Huang XR, Sun CC. Gao XF, et al. Among authors: huang xr. J Struct Biol. 2006 Apr;154(1):20-6. doi: 10.1016/j.jsb.2005.11.014. Epub 2006 Jan 4. J Struct Biol. 2006. PMID: 16469506

7

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: huang xr. J Comput Chem. 2006 Apr 30;27(6):749-61. doi: 10.1002/jcc.20376. J Comput Chem. 2006. PMID: 16526039

8

Molecular dynamics analysis of the engrailed homeodomain-DNA recognition.

Zhao X, Huang XR, Sun CC. Zhao X, et al. Among authors: huang xr. J Struct Biol. 2006 Sep;155(3):426-37. doi: 10.1016/j.jsb.2006.03.031. Epub 2006 May 7. J Struct Biol. 2006. PMID: 16765059

9

Theoretical study on structures and stability of C4P isomers.

Yu GT, Ding YH, Huang XR, Sun CC. Yu GT, et al. Among authors: huang xr. J Phys Chem A. 2005 Mar 3;109(8):1594-602. doi: 10.1021/jp045393t. J Phys Chem A. 2005. PMID: 16833482

10

Theoretical study on structures and stability of Si2CP isomers.

Chen GH, Ding YH, Huang XR, Sun CC. Chen GH, et al. Among authors: huang xr. J Phys Chem A. 2005 Jun 30;109(25):5619-24. doi: 10.1021/jp0450641. J Phys Chem A. 2005. PMID: 16833894

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