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宁波材料技术与工程... [10]
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期刊论文 [21]
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Origin of the Surprising Mechanical Stability of Kinesin's Neck Coiled Coil
期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2021, 卷号: 17, 期号: 2, 页码: 1017-1029
作者:
Liu, Shu-Xia
;
Lu, Gang
;
Zhang, Hui
;
Geng, Yi-Zhao
;
Jix, Qing
收藏
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浏览/下载:70/0
  |  
提交时间:2021/09/27
Origin of the Surprising Mechanical Stability of Kinesin's Neck Coiled Coil
期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2021, 卷号: 17, 期号: 2, 页码: 1017-1029
作者:
Liu, Shu-Xia
;
Lu, Gang
;
Zhang, Hui
;
Geng, Yi-Zhao
;
Jix, Qing
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2023/01/16
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
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  |  
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
Synergistic effects of heteroatom-decorated MXene catalysts for CO reduction reactions
期刊论文
NANOSCALE, 2020, 卷号: 12, 期号: 29, 页码: 15880-15887
作者:
Li, Lei
;
Li, Baihai
;
Guo, Haoran
;
Li, Yanle
;
Sun, Chenghua
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  |  
浏览/下载:144/0
  |  
提交时间:2020/12/16
HYDROGEN EVOLUTION REACTION
TOTAL-ENERGY CALCULATIONS
ELECTROCHEMICAL REDUCTION
MONOLAYER MXENE
CARBON-DIOXIDE
ELECTROREDUCTION
TRANSITION
CONVERSION
NANOSHEETS
METHANE
Nanoheterostructures of Partially Oxidized RuNi Alloy as Bifunctional Electrocatalysts for Overall Water Splitting
期刊论文
CHEMSUSCHEM, 2020, 卷号: 13, 期号: 10, 页码: 2739-2744
作者:
Lin, Gaoxin
;
Wang, Yuandong
;
Hong, Jinhua
;
Suenaga, Kazu
;
Liu, Lijia
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  |  
浏览/下载:33/0
  |  
提交时间:2020/12/16
OXYGEN EVOLUTION
HIGHLY EFFICIENT
HYDROGEN
DESIGN
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
Theoretical Insights into Modification of Nitrogen-Donor Ligands to Improve Performance on Am(III)/Eu(III) Separation
期刊论文
INORGANIC CHEMISTRY, 2020, 卷号: 59, 期号: 5, 页码: 3221-3231
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:66/0
  |  
提交时间:2020/12/16
SEGMENTED CONTRACTION SCHEME
EFFICIENT SEPARATION
VALENCE INDEXES
MINOR ACTINIDES
COMPLEXATION
EXTRACTION
LANTHANIDES
SELECTIVITY
COVALENCY
DESIGN
Novel photocatalytic performance of nanocage-like MIL-125-NH2 induced by adsorption of phenolic pollutants
期刊论文
ENVIRONMENTAL SCIENCE-NANO, 2020, 卷号: 7, 期号: 5, 页码: 1525-1538
作者:
Shen, Yi
;
Zhu, Chao
;
Chen, Baoliang
;
Chen, Jianmeng
;
Fang, Qile
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  |  
浏览/下载:9/0
  |  
提交时间:2020/12/16
METAL-ORGANIC FRAMEWORKS
FENTON-LIKE CATALYSTS
CARBON NANOTUBES
FACILE SYNTHESIS
GRAPHENE
DEGRADATION
TIO2
SURFACE
NANOPARTICLES
RECOMBINATION
A size tunable bimetallic nickel-zinc nitride as a multi-functional co-catalyst on nitrogen doped titania boosts solar energy conversion
期刊论文
DALTON TRANSACTIONS, 2020, 卷号: 49, 期号: 15, 页码: 4887-4895
作者:
Qi, Weiliang
;
Meng, Xiangjian
;
Adimi, Samira
;
Guo, Haichuan
;
Thomas, Tiju
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  |  
浏览/下载:113/0
  |  
提交时间:2020/12/16
PHOTOCATALYTIC HYDROGEN EVOLUTION
NONNOBLE METAL ELECTROCATALYSTS
VISIBLE-LIGHT
ELECTRONIC-STRUCTURE
NI2P COCATALYST
H-2 EVOLUTION
WATER
REDUCTION
TIO2
NANOSHEETS
Theoretical insights into selective separation of trivalent actinide and lanthanide by ester and amide ligands based on phenanthroline skeleton
期刊论文
DALTON TRANSACTIONS, 2020, 卷号: 49, 期号: 13, 页码: 4093-4099
作者:
收藏
  |  
浏览/下载:68/0
  |  
提交时间:2020/12/16
SEGMENTED CONTRACTION SCHEME
DENSITY-FUNCTIONAL THEORY
MINOR ACTINIDES
AM(III)/EU(III) SELECTIVITY
EXTRACTION SEPARATION
WAVE-FUNCTION
F-ELEMENTS
COMPLEXATION
ENERGY
DESIGN
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