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Theoretical Framework of 1,3-Thiazolium-5-Thiolates Mesoionic Compounds: Exploring the Nature of Photophysical Property and Molecular Nonlinearity
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2020, 卷号: 124, 期号: 27, 页码: 5563-5569
作者:
Liu, Zeyu
;
Tian, Ziqi
;
Lu, Tian
;
Hua, Shugui
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2020/12/16
DENSITY-FUNCTIONAL THEORY
ZETA VALENCE QUALITY
GAUSSIAN-BASIS SETS
1ST HYPERPOLARIZABILITY
EXCITATION-ENERGIES
OPTICAL PROPERTIES
APPROXIMATION
ABSORPTION
PARAMETERS
CRYSTAL
Complexation of trivalent lanthanides and actinides with diethylenetriaminepentaacetic acid: Theoretical unraveling of bond covalency
期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2020, 卷号: 299
作者:
Chen, Yan-Mei
;
Wang, Cong-Zhi
;
Wu, Qun-Yan
;
Lan, Jian-Hui
;
Chai, Zhi-Fang
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  |  
浏览/下载:70/0
  |  
提交时间:2020/12/16
SEGMENTED CONTRACTION SCHEME
ELECTRON-DENSITY
STRUCTURAL DETERMINATION
OPTICAL SPECTROSCOPY
METAL-COMPLEXES
BASIS-SETS
ENERGY
EXTRACTION
SEPARATION
9-COORDINATE
First-principles investigations on the anisotropic elasticity and thermodynamic properties of U3Si2-Al
期刊论文
RSC ADVANCES, 2020, 卷号: 10, 期号: 58, 页码: 35049-35056
作者:
Chen, Xinyu
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  |  
浏览/下载:123/0
  |  
提交时间:2020/12/16
INITIO MOLECULAR-DYNAMICS
THERMOPHYSICAL PROPERTIES
FUEL
TRANSITION
STABILITY
BEHAVIOR
U3SI2/AL
Cloning and Functional Analysis of Dwarf GeneMini Plant 1(MNP1) inMedicago truncatula
期刊论文
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2020, 卷号: 21, 期号: 14, 页码: -
作者:
Guo, Shiqi
;
Zhang, Xiaojia
;
Bai, Quanzi
;
Zhao, Weiyue
;
Fang, Yuegenwang
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  |  
浏览/下载:62/0
  |  
提交时间:2020/09/15
dwarfism
gene cloning
MNP1
CPS
Medicago truncatula
Decreased NAD Activates STAT3 and Integrin Pathways to Drive Epithelial-Mesenchymal Transition
期刊论文
MOLECULAR & CELLULAR PROTEOMICS, 2018, 卷号: 17, 期号: 10, 页码: 2005-2017
作者:
Wang, Weixuan
;
Hu, Yadong
;
Yang, Changmei
;
Zhu, Songbiao
;
Wang, Xiaofei
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  |  
浏览/下载:35/0
  |  
提交时间:2020/12/24
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
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  |  
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
Boosted Electrocatalytic N-2 Reduction to NH3 by Defect-Rich MoS2 Nanoflower
期刊论文
ADVANCED ENERGY MATERIALS, 2018, 卷号: 8, 期号: 30
作者:
Qiu, Weibin
;
Sun, Xuping
;
Tang, Bo
;
Chen, Liang
;
Asiri, Abdullah M.
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  |  
浏览/下载:38/0
  |  
提交时间:2018/12/04
Efficient Hydrogen Evolution
Total-energy Calculations
Single Molybdenum Center
Active Edge Sites
Wave Basis-set
Ambient Conditions
Ultrathin Nanosheets
Atmospheric-pressure
Catalytic-reduction
Nitrogen-fixation
Boosted Electrocatalytic N-2 Reduction to NH3 by Defect-Rich MoS2 Nanoflower
期刊论文
ADVANCED ENERGY MATERIALS, 2018, 卷号: 8, 期号: 30
作者:
Sun, Xuping
;
Li, Xianghong
;
Li, Tingshuai
;
Ma, Yongjun
;
Wei, Qin
收藏
  |  
浏览/下载:54/0
  |  
提交时间:2018/12/04
Efficient Hydrogen Evolution
Total-energy Calculations
Single Molybdenum Center
Active Edge Sites
Wave Basis-set
Ambient Conditions
Ultrathin Nanosheets
Atmospheric-pressure
Catalytic-reduction
Nitrogen-fixation
Norisoprenoids from the Brown Alga Sargassum naozhouense Tseng et Lu
期刊论文
MOLECULES, 2018, 卷号: 23, 期号: 2, 页码: -348
作者:
Peng, Y
;
Huang, RM
;
Lin, XP
;
Liu, YH
;
py00_2006@126.com
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  |  
浏览/下载:68/0
  |  
提交时间:2018/08/24
Construction of Vibronic Diabatic Hamiltonian for Excited-State Electron and Energy Transfer Processes
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2017, 卷号: 121, 期号: 50, 页码: 9567-9578
作者:
Xie, yu
;
Jiang, Shengshi
;
Zheng, Jie
;
Lan, Zhenggang
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  |  
浏览/下载:30/0
  |  
提交时间:2018/01/05
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