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期刊论文 [14]
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浏览/检索结果:
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Gas-phase intramolecular hydroxyl-amino exchange of protonated arginine and verified by the synthetic intermediate compound
期刊论文
JOURNAL OF MASS SPECTROMETRY, 2018, 卷号: 53, 期号: 8, 页码: 700-704
作者:
Cai, Tian
;
Zhou, Jing
;
Jiang, Yan
;
Xie, Kexin
;
Fang, Dongmei
收藏
  |  
浏览/下载:16/0
  |  
提交时间:2020/12/24
DFT calculation
ion-neutral complex
LC-MS
m/z 130 ion
protonated arginine
Electrochemical Water Splitting by Pseudo-spinel, Disordered and Layered Lithium Nickel Oxides: Correlation between Structural Motifs and Catalytic Properties
期刊论文
CHEMCATCHEM, 2018, 卷号: 10, 期号: 12, 页码: 2551-2557
作者:
Fan, Weibin
;
Wang, Jianguo
;
Liu, J. Ping
;
Du, Juan
;
Wang, Guofu
收藏
  |  
浏览/下载:52/0
  |  
提交时间:2018/12/04
Oxygen Evolution Reaction
Oxidation Catalysis
Metal
Electrocatalysts
Transition
Reduction
Stability
Chemistry
Lini2o4
Design
Electrochemical Water Splitting by Pseudo-spinel, Disordered and Layered Lithium Nickel Oxides: Correlation between Structural Motifs and Catalytic Properties
期刊论文
CHEMCATCHEM, 2018, 卷号: 10, 期号: 12, 页码: 2551-2557
作者:
Fan, Weibin
;
Wang, Jianguo
;
Liu, J. Ping
;
Du, Juan
;
Wang, Guofu
收藏
  |  
浏览/下载:44/0
  |  
提交时间:2018/12/04
Oxygen Evolution Reaction
Oxidation Catalysis
Metal
Electrocatalysts
Transition
Reduction
Stability
Chemistry
Lini2o4
Design
Bifunctional Ligand Enables Efficient Gold-Catalyzed Hydroalkenylation of Propargylic Alcohol
期刊论文
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2018, 卷号: 57, 期号: 27, 页码: 8250-8254
作者:
Cheng, XP
;
Liao, SR
;
Porta, A
;
Ma, X
;
Zanoni, G
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  |  
浏览/下载:17/0
  |  
提交时间:2018/08/24
Performance of Twelve Density Functional Theory Methods in the Characterization of Three Trivalent Uranium Complexes
期刊论文
ACTA PHYSICO-CHIMICA SINICA, 2015, 卷号: 31, 期号: 7, 页码: 1283-1301
作者:
Ding, WJ
;
Fang, WH
;
Chai ZF(柴之芳)
;
Wang DQ(王东琪)
;
Chai, ZF
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  |  
浏览/下载:18/0
  |  
提交时间:2016/04/18
Density functional theory
Trivalent uranium complex
Computational actinide chemistry
QTAIM
Determining the absolute configuration of benzopyrenomycin by optical rotation, electronic circular dichroism, and population analysis of different conformations via DFT methods and experiments
期刊论文
TETRAHEDRON, 2013, 卷号: 69, 期号: 14, 页码: 3067-3074
作者:
Li, Qing-Ming
;
Ren, Jie
;
Zhou, Bei-Dou
;
Bai, Bing
;
Liu, Xin-Chun
收藏
  |  
浏览/下载:32/0
  |  
提交时间:2013/06/08
Absolute configuration assignment
DFT computation
Optical rotation
Electronic circular dichroism
Conformational analysis
computational investigation on the new high energy density material of aluminum enriched 1, 1-diamino-2, 2-dinitroethylene
期刊论文
JOURNAL OF MOLECULAR MODELING, 2013, 卷号: 19, 期号: 1, 页码: 131-138
作者:
Bian Liang
;
Shu Yuanjie
;
Xu Jinbao
;
Wang Lei
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2013/11/07
Aluminum 1
Crystal
1-diamino-2
2-dinitroethylene
First-principles
Molecular dynamics
A benchmark study of DFT methods on the electronic properties of lanthanofullerenes: a case study of Ce@C-2v(9)-C-82 anion
期刊论文
RSC ADVANCES, 2013, 卷号: 3, 期号: 48, 页码: 26252-26260
作者:
Wu JY(吴静怡)
;
Chai ZF(柴之芳)
;
王东琪;Wu, JY
;
Chai, ZF
;
Wang, DQ
收藏
  |  
浏览/下载:20/0
  |  
提交时间:2016/04/08
computational investigation on the surface electronic density, morphology and detonation property of 1,1-diamino-2,2-dinitroethylene (fox-7) crystal
期刊论文
CHINESE JOURNAL OF STRUCTURAL CHEMISTRY, 2012, 卷号: 31, 期号: 12, 页码: 1736-1744
作者:
Bian Liang
;
Shu Yuan-Jie
;
Li Hua-Rong
收藏
  |  
浏览/下载:22/0
  |  
提交时间:2013/11/07
DADE
crystal
density
DFT
morphology
Progression of Absolute Configuration Determination in Natural Product Chemistry Using Optical Rotation (Dispersion), Matrix Determinant and Electronic Circular Dichroism Methods
期刊论文
CURRENT ORGANIC CHEMISTRY, 2011, 卷号: 15, 期号: 11, 页码: 1843-1862
作者:
Zhao, Sheng-Ding
;
Shen, Lan
;
Luo, Du-Qiang
;
Zhu, Hua-Jie
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2012/07/25
DFT
ECD
OR
absolute configuration determination
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