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Variational theory of angulons and their rotational spectroscopy
期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2023, 卷号: 158, 期号: 13, 页码: 134301
作者:
Zeng, Zhongda
;
Yakaboylu, Enderalp
;
Lemeshko, Mikhail
;
Shi, Tao
;
Schmidt, Richard
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  |  
浏览/下载:4/0
  |  
提交时间:2023/12/07
HELIUM DROPLETS
MOLECULES
DYNAMICS
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
Ultrathin 2D Mesoporous TiO2/rGO Heterostructure for High-Performance Lithium Storage
期刊论文
SMALL, 2020, 卷号: 16, 期号: 26
作者:
Liang, Yaru
;
Xiong, Xiang
;
Xu, Zhuijun
;
Xia, Qingbing
;
Wan, Liyang
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  |  
浏览/下载:127/0
  |  
提交时间:2020/12/16
REDUCED GRAPHENE OXIDE
ANODE MATERIAL
ANATASE TIO2
PHOTOCATALYTIC ACTIVITY
ION BATTERIES
LI STORAGE
CARBON
NANOCOMPOSITE
NANOFIBERS
COMPOSITE
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
MnPS3 spin-flop transition-induced anomalous Hall effect in graphite flake via van der Waals proximity coupling
期刊论文
NANOSCALE, 2020, 卷号: 12, 期号: 45, 页码: 23266-23273
作者:
Zhang, Ying
;
Wang, Wenhui
;
Huang, Meng
;
Liu, Ping
;
Hu, Guojing
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  |  
浏览/下载:28/0
  |  
提交时间:2020/12/16
Catalytic Polysulfide Conversion and Physiochemical Confinement for Lithium-Sulfur Batteries
期刊论文
ADVANCED ENERGY MATERIALS, 2020, 卷号: 10, 期号: 22
作者:
Sun, Zixu
;
Vijay, Sudarshan
;
Heenen, Hendrik H.
;
Eng, Alex Yong Sheng
;
Tu, Wenguang
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  |  
浏览/下载:51/0
  |  
提交时间:2020/12/16
TOTAL-ENERGY CALCULATIONS
METAL-ORGANIC FRAMEWORK
RATIONAL DESIGN
CARBON
NITROGEN
EFFICIENT
CATHODE
ELECTRODE
HOST
HETEROSTRUCTURES
Intrinsic defects in biomass-derived carbons facilitate electroreduction of CO2
期刊论文
NANO RESEARCH, 2020, 卷号: 13, 期号: 3, 页码: 729-735
作者:
Chen, Mengjie
;
Wang, Shuai
;
Zhang, Haiyan
;
Zhang, Ping
;
Tian, Ziqi
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2020/12/16
ELECTROCATALYTIC REDUCTION
OXYGEN REDUCTION
ELECTROCHEMICAL REDUCTION
MESOPOROUS CARBON
DIOXIDE REDUCTION
ACTIVATED CARBON
EFFICIENT
FORMATE
SITES
Experimental and theoretical studies on the inhibition properties of three diphenyl disulfide derivatives on copper corrosion in acid medium
期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2020, 卷号: 298
作者:
Tan, Bochuan
;
Zhang, Shengtao
;
Qiang, Yujie
;
Li, Wenpo
;
Li, Hao
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2020/12/16
MILD-STEEL CORROSION
CARBON-STEEL
SULFURIC-ACID
MOLECULAR-DYNAMICS
IONIC LIQUIDS
SURFACE CHARACTERIZATION
ANTICORROSIVE MECHANISM
INDAZOLE DERIVATIVES
ORGANIC-COMPOUNDS
GREEN INHIBITOR
Efficient bipolar AIE emitters for high-performance nondoped OLEDs
期刊论文
JOURNAL OF MATERIALS CHEMISTRY C, 2020, 卷号: 8, 期号: 34, 页码: 11771-11777
作者:
Zhang, Jiasen
;
Bai, Yongqi
;
Wei, Qiang
;
Cao, Liang
;
Wang, Tao
收藏
  |  
浏览/下载:119/0
  |  
提交时间:2020/12/16
AGGREGATION-INDUCED EMISSION
ACTIVATED DELAYED FLUORESCENCE
ROLL-OFF
BLUE
RED
DESIGN
GREEN
Ruthenium Triazine Composite: A Good Match for Increasing Hydrogen Evolution Activity through Contact Electrification
期刊论文
ADVANCED ENERGY MATERIALS, 2020, 卷号: 10, 期号: 21
作者:
Ju Qiangjian
;
Ma Ruguang
;
Pei Yu
;
Guo Beibei
;
Li Zichuang
收藏
  |  
浏览/下载:9/0
  |  
提交时间:2020/12/16
WORK FUNCTION
PERFORMANCE
WATER
CATALYST
FRAMEWORK
EFFICIENT
PLATINUM
PH
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