Xu-Ri Huang - researchr alias

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Viewing Publication 1 - 8 from 8

2012

Comparison of the FeO2+ and FeS2+ complexes in the cyanide and isocyanide ligand environment for methane hydroxylationHao Tang, Zhuo Li, Yu-Hong Yang, Ying Zhao, Su-Qin Wan, Hui-Ling Liu, Xu-Ri Huang. jcc, 33(16):1448-1457, 2012. [doi]

2011

Alkali metal atom-aromatic ring: A novel interaction mode realizes large first hyperpolarizabilities of M@AR (M = Li, Na, and K, AR = pyrrole, indole, thiophene, and benzene)Guang-Tao Yu, Xu-Ri Huang, Wei Chen 0014, Chia-Chung Sun. jcc, 32(9):2005-2011, 2011. [doi]

2009

Conformational transition pathway in the allosteric process of calcium-induced recoverin: Molecular dynamics simulationsJi-Lai Li, Cai-Yun Geng, Yuxiang Bu, Xu-Ri Huang, Chia-Chung Sun. jcc, 30(7):1135-1145, 2009. [doi]

2008

Theoretical elucidation of the rhodium-catalyzed [4 + 2] annulation reactionsCai-Yun Geng, Ji-Lai Li, Xu-Ri Huang, Hui-Ling Liu, Zhuo Li, Chia-Chung Sun. jcc, 29(5):686-693, 2008. [doi]

2006

Theoretical study on the [Si, C, N, O] potential energy surfaceGuang-Tao Yu, Xu-Ri Huang, Yi-Hong Ding, Chia-Chung Sun, Au-Chin Tang. jcc, 27(6):749-761, 2006. [doi]

2003

Dual-level direct dynamics studies for the reactions of dimethyl ether with hydrogen atom and methyl radicalJia-Yan Wu, Jing-Yao Liu, Ze-Sheng Li, Xu-Ri Huang, Chia-Chung Sun. jcc, 24(5):593-600, 2003. [doi]

2002

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)Yang Wu, Yi-Hong Ding, Jing-Fa Xiao, Ze-Sheng Li, Xu-Ri Huang, Chia-Chung Sun. jcc, 23(14):1366-1374, 2002. [doi]

2001

Theoretical study on reaction mechanism of the CF radical with nitrogen dioxideYu-Guo Tao, Yi-Hong Ding, Jian-Jun Liu, Ze-Sheng Li, Xu-Ri Huang, Chia-Chung Sun. jcc, 22(16):1907-1919, 2001. [doi]

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