검색결과 : 17건
| No. | Article |
|---|---|
| 1 |
3D-QSAR study and design of 4-hydroxyamino alpha-pyranone carboxamide analogues as potential anti-HCV agents Li WL, Xiao FQ, Zhou MM, Jiang XJ, Liu J, Si HZ, Xie M, Ma XT, Duan YB, Zhai HL Chemical Physics Letters, 661, 36, 2016 |
| 2 |
Removal of nitric oxide by the highly reactive anatase TiO2 (001) surface: A density functional theory study Zhao WW, Tian FH, Wang XB, Zhao LH, Wang Y, Fu AP, Yuan SP, Chu TS, Xia LH, Yu JC, Duan YB Journal of Colloid and Interface Science, 430, 18, 2014 |
| 3 |
Density Functional Study of Organocatalytic Cross-Aldol Reactions between Two Aliphatic Aldehydes: Insight into Their Functional Differentiation and Origins of Chemo- and Stereoselectivities Fu AP, Zhao CY, Li HL, Tian FH, Yuan SP, Duan YB, Wang ZH Journal of Physical Chemistry A, 117(13), 2862, 2013 |
| 4 |
Location of Si Vacancies and [Ti(OSi)(4)] and [Ti(OSi)(3)OH] Sites in the MFI Framework: A Large Cluster and Full Ab Initio Study Yuan SP, Si HZ, Fu AP, Chu TS, Tian FH, Duan YB, Wang JG Journal of Physical Chemistry A, 115(5), 940, 2011 |
| 5 |
Theoretical studies of stereoselectivities in the direct anti-Mannich and syn-aldol reactions catalyzed by axially chiral amino sulfonamide Fu AP, Li HL, Chu TS, Zou HX, Feng P, Yuan SP, Duan YB Journal of Molecular Catalysis A-Chemical, 314(1-2), 1, 2009 |
| 6 |
A Comparative Study of the H plus FO (v=0, j=0) -> (OH plus F)/(HF plus O) Reaction from QM and QCT Methods Chu TS, Zhang H, Yuan SP, Fu AP, Si HZ, Tian FH, Duan YB Journal of Physical Chemistry A, 113(15), 3470, 2009 |
| 7 |
Accurate quantum wave packet study of the N(D-2)+D-2 reaction Chu TS, Duan YB, Yuan SP, Varandas AJC Chemical Physics Letters, 444(4-6), 351, 2007 |
| 8 |
An ONIOM2 study on pyridine adsorption in the main channels of Li- and Na-MOR Yuan SP, Wang JU, Duan YB, Li YW, Jiao HJ Journal of Molecular Catalysis A-Chemical, 256(1-2), 130, 2006 |
| 9 |
Spectroscopic determination of fundamental molecular parameters for methanol and its isotopomers Wang L, Duan YB, Matsushima F, Takagi K Chemical Physics Letters, 365(5-6), 432, 2002 |
| 10 |
Observation and analysis of high-J o(1)-e(1) inter-state transitions in CH2DOH Mukhopadhyay I, Perry DS, Duan YB, Pearson JC, Albert S, Butler RAH, Herbst E, DeLucia FC Journal of Chemical Physics, 116(9), 3710, 2002 |