關鍵字：J. Am. Chem. Soc.
41. Ming Li, Wenyue Guo*, Ruibin Jiang, Lianming Zhao, Xiaoqing Lu, Houyu Zhu, Dianling Fu, Honghong Shan*
Mechanism of the ethylene conversion to ethylidyne on Rh(111): A density functional investigation
J. Phys. Chem. C 114(18): 8440-8448 (2010).
40. Ruibin Jiang, Wenyue Guo*, Ming Li, Jianye Yuan, Dianling Fu, Honghong Shan*
Density functional investigation of methanol dehydrogenation on Pd(100)
Phys. Chem. Chem. Phys. accepted
39. Zhaochun Liu, Wenyue Guo*, Lianming Zhao*, Honghong Shan.
Theoretical investigation of the oxidation of propane by FeO
J. Phys. Chem. A 114(7): 2701-2709 (2010).
38. Xiaoqing Lu, Chi-Man Lawrence Wu*, Shuxian Wei, Wenyue Guo*
DFT/TD-DFT investigation of electronic structures and spectra properties of Cu-based dye sensitizers
J. Phys. Chem. A 114(2): 1178–1184 (2010).
37. Ming Li, Wenyue Guo*, Ruibin Jiang, Houyu Zhu, Lianming Zhao, Honghong Shan*
Decomposition of ethanol
on Pd(111): A density functional theory study
Langmuir 26(3): 1879-1888 (2010).
36. Ruibin Jiang, Wenyue Guo*, Ming Li, Houyu Zhu, Jing Li, Lianming Zhao, Dianling Fu, Honghong Shan
Density functional study of the reaction of SO2 on Ir(111)
J. Phys. Chem. C 113(42): 18223–18232 (2009).
35. Qingtao Fu, Tingting He, Wenyue Guo, Lianming Zhao, Yongming Chai, Tongna Zhou, Yunqi Liu, Chenguang Liu
J. Mol Struc. (Theochem) 906(1-3): 6-10 (2009).
34. Fengyun Zhang, Wenyue Guo*, Lianming Zhao, Lizhen Zhang, Houyu Zhu, Honghong Shan*
Theoretical survey of the potential energy surface of Ti+ + methanol reaction
J. Phys. Chem. A 113(21): 7103-7111 (2009).
33. Lianming Zhao, Zhaochun Liu, Wenyue Guo*, Lizhen Zhang, Fengyun Zhang, Houyu Zhu, Honghong Shan*
Theoretical investigation of the gas-phase Mn+- and Co+-catalyzed oxidation of benzene by N2O
Phys. Chem. Chem. Phys. 11(21), 4219–4229 (2009).
32. Ruibin Jiang, Wenyue Guo*, Ming Li, Dianling Fu, Honghong Shan*
Density functional investigation of methanol dehydrogenation on Pd(111)
J. Phys. Chem. C 113(10): 4188-4197 (2009).
31. Wenyue Guo*, Yucheng Bi, Huijun Guo, Yang Pan, Fei Qi*, Wenan Deng, Honghong Shan
Infrared laser desorption/vacuum ultraviolet photoionization mass spectrometry of petroleum staturates: A new experimental approach for the analysis of heavy oils
Rapid Commun. Mass Spectrom. 22(24): 4025-4028 (2008).
30. Lianming Zhao, Zhaochun Liu, Wenyue Guo*, Xiaoqing Lu, Xianqing Lin, Honghong Shan*
Mechanisms for the Ni+-mediated oxidation of benzene to phenol by N2O
Chem. Phys. Lett. 463(1-3): 54-59 (2008).
29. Xiaoqing Lu, Wenyue Guo*, Tianfang Yang, Lianming Zhao, Senchang Du, Ling Wang, Honghong Shan*
Gas-phase reactions of Co+ with ethylamine: A theoretical approach to the reaction mechanisms of transition metal ions with primary amines
J. Phys. Chem. A 112(23): 5312-5321 (2008).
28. Lianming Zhao, Yong Wang, Wenyue Guo*, Honghong Shan*, Xiaoqing Lu, Tianfang Yang
Theoretical investigation of the Fe+-catalyzed oxidation of acetylene by N2O
J. Phys. Chem. A 112(25): 5676-5683 (2008).
27. 張軍, 胡松青, 王勇, 郭文躍*, 劉金祥, 尤龍
1-(2-羥乙基)-2-烷基-咪唑啉緩蝕劑緩蝕機理的理論研究
化學學報66: 2469-2475 (2008).
26. 張軍, 李中譜, 趙衛民, 郭文躍*, 王勇
咪唑啉緩蝕劑緩蝕性能的理論研究
石油學報(石油加工) 24: 598-604 (2008).
25. 張軍, 趙衛民, 郭文躍*, 王勇, 李中譜
苯并咪唑類緩蝕劑緩蝕性能的理論評價
物理化學學報 24: 1239-1244 (2008).
24. Lianming Zhao, Wenyue Guo*, Tianfang Yang, Xiaoqing Lu
Theoretical survey of the potential energy surface of methyl nitrite + Cu+ reaction
J. Phys. Chem. A 112(3): 533-541 (2008).
23. Xiaoqing Lu, Wenyue Guo*, Lianming Zhao, Xiangfeng Chen, Qingtao Fu, Yan Ma
Hydride abstraction of methylamine with Cu+(1S) in the gas phase: A density functional theory study
J. Organomet. Chem. 692(17): 3796-3803 (2007).
22. Xiangfeng Chen, Wenyue Guo*, lianming Zhao, Qingtao Fu, Yan Ma.
Reaction of acetaldehyde with Ni+: An extended theoretical study of the decarbonylation mechanism of acetaldehyde by first-row transition metal ions.
J. Phys. Chem. A 111(18): 3566-3570 (2007).
21. Yan Ma, Wenyue Guo*, Lianming Zhao, Songqing Hu, Jun Zhang, Qingtao Fu, Xiangfeng Chen.
Theoretical survey of the gas-phase reactions of allylamine with Co+.
J. Phys. Chem. A 111(28): 6208-6216 (2007).
20. Xiangfeng Chen, Wenyue Guo*, Lianming Zhao, Qingtao Fu.
Theoretical survey of the potential energy surface of Ni+ + acetone reaction
Chem. Phys. Lett. 432(1-3): 27-32 (2006).
19. Lianming Zhao, Rongrong Zhang, Wenyue Guo*, Xiaoqing Lu.
The oxidation pathways of Ti+ by acetaldehyde in the gas phase: A density functional theory investigation.
Chem. Phys. Lett. 431(1-3): 56-61 (2006).
18. 胡松青, 陳相峰, 郭文躍. (1, 3)-丁二烯環氧化反應理論研究.
中國石油大學學報 30(5): 98-100 (2006).
17. 姚海田, 袁濤, 趙聯明, 郭文躍. C3H7/NH2/Fe+體系反應活性的密度泛函研究.
中國石油大學學報 30(2): 93-96 (2006).
16. Wenyue Guo*, Tao Yuan, Xiangfeng Chen, Lianming Zhao, Xiaoqing Lu, Shujuan Wu.
Theoretical investigation of C-H activation in Mg+-CH3X (X = H, NH2 and CHO).
J. Mol Struc. (Theochem) 764(1-3): 177-186 (2006).
15. Lianming Zhao, Wenyue Guo*, Rongrong Zhang, Shujuan Wu, and Xiaoqing Lu.
Theoretical investigation of the decarbonylation of acetaldehyde by Fe+ and Cr+.
ChemPhysChem 7(6): 1345-1354 (2006).
14. Haichuan Liu, Yihua Hu, Shihe Yang*, Wenyue Guo*, Qingtao Fu, Ling Wang
Photoreactions in the gas-phase complexes of Mg·+-dioxanes.
J. Phys. Chem. A 110(13): 4389-4396 (2006).
13. Haichuan Liu, Yihua Hu, Shihe Yang*, Wenyue Guo*, Xiaoqing Lu, Lianming Zhao.
Experimental and computational studies of intra-complex reactions in Mg+(primary, secondary alkylamine) induced by photoexcitation of Mg+.
Chem. Eur. J. 11(21): 6392-6406 (2005).
12. Lianming Zhao, Rongrong Zhang, Wenyue Guo*, Shujuan Wu, Xiaoqing Lu.
Does the Co+-assisted decarbonylation of acetaldehyde occur via C-C or C-H activation? A theoretical investigation using density functional theory.
Chem. Phys. Lett. 414(1-3): 28-33 (2005).
11. Haichuan Liu, Xinhao Zhang, Changsheng Wang, Wenyue Guo, Yundong Wu, Shihe Yang.
Effects of aromatic substitutions on the photoreactions in Mg·+(C6HnF2X4-n) (X = F, CH3) complexes: Formation and decomposition of benzyne radical cations.
J. Phys. Chem. A 108(16): 3356-3366 (2004).
10. Wenyue Guo*, Xiaoqing Lu, Songqing Hu, Shihe Yang.
Ab initio study of hydride abstraction reaction in the Mg+–NH2CH3 complex.
Chem. Phys. Lett. 381: 109–116 (2003).
9. Wenyue Guo*, Haichuan Liu, Shihe Yang.
Photodissociation spectroscopy of Mg+-pyridine.
Int. J. Mass Spectrom. 226(2): 291-304 (2003).
8. 郭文躍, 胡松青.
激光光斑面積對多光子電離離子產量的影響.
石油大學學報. 27(3): 122-125 (2003).
7. 郭文躍, 胡松青, 方黎, 張冰, 張樹東, 蔡繼業.
丁酮分子的多光子電離-離解機理.
原子與分子物理學報. 20(2): 136-142 (2003).
6. 胡松青, 魏昂, 郭文躍, 楊渭.
利用激光解聚—質譜研究渣油的化學結構.
油氣田地面工程. 22(6): 19-20 (2003).
5. Wenyue Guo, Haichuan Liu, Shihe Yang.
J. Chem. Phys. 117(13): 6061-6070 (2002).
4. Wenyue Guo, Haichuan Liu, Shihe Yang.
Photo-induced intra-complex reactions in Mg+-2,2,2-trifluoroethanol.
J. Chem. Phys. 116(22): 9690-9696 (2002).
3. Wenyue Guo, Haichuan Liu, Shihe Yang.
Photodissociation spectroscopy of the complexes of Mg+ with di- and tri-ethylamine.
J. Chem. Phys. 116(7): 2896-2906 (2002).
2. Haichuan Liu, Changsheng Wang, Wenyue Guo, Yundong Wu, and Shihe Yang.
Formation and decomposition of distonic o-, m-, and p-benzyne radical cations from photolysis of Mg+(o-, m-, p-C6H4F2).
J. Am. Chem. Soc. 124(14): 3794-3798 (2002).
1. Haichuan Liu, Wenyue Guo, Shihe Yang.
Photodissociation studies of microsolved metal cation complexes Mg+( NCCH3)n (n = 1-4). J. Chem. Phys. 115(10): 4612-4619 (2001).