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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
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2023/12/07
HELIUM DROPLETS
MOLECULES
DYNAMICS
Pathway for Water Transport through Breathable Nanocomposite Membranes of PEBAX with Ionic Liquid [C12C1im]Cl
期刊论文
MEMBRANES, 2023, 卷号: 13, 期号: 9, 页码: 749
作者:
Cheng, Ziqi
;
Li, Shen
;
Tocci, Elena
;
Saielli, Giacomo
;
Gugliuzza, Annarosa
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  |  
浏览/下载:3/0
  |  
提交时间:2023/12/07
MIXED MATRIX MEMBRANES
SIMULATIONS
PERFORMANCE
ELECTROLYTES
TRANSITION
SEPARATION
CRYSTALS
BEHAVIOR
SURFACE
STATE
A Machine Learning Model to Classify Dynamic Processes in Liquid Water**
期刊论文
CHEMPHYSCHEM, 2022
作者:
Huang, Jie
;
Huang, Gang
;
Li, Shiben
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  |  
浏览/下载:10/0
  |  
提交时间:2023/01/16
JUMP MECHANISM
CLUSTERS
EXCHANGE
SPECTROSCOPY
DIFFUSION
NETWORKS
CELL
Manipulated deformation of lipid bilayer vesicles in magnetic fields
期刊论文
LIQUID CRYSTALS, 2022
作者:
Shu, Yao-Gen
;
Ou-Yang, Zhong-Can
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  |  
浏览/下载:13/0
  |  
提交时间:2023/01/16
CURVATURE ELASTICITY
SPHERICAL VESICLE
BENDING ENERGY
NANOTUBES
MEMBRANES
SPHERES
SHAPES
PHASE
2ND
Room temperature bilayer water structures on a rutile TiO2(110) surface: hydrophobic or hydrophilic?
期刊论文
CHEMICAL SCIENCE, 2022, 卷号: 13, 期号: 35, 页码: 10546-10554
作者:
Qu, Mengyang
;
Huang, Gang
;
Liu, Xinyi
;
Nie, Xuechuan
;
Qi, Chonghai
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  |  
浏览/下载:15/0
  |  
提交时间:2023/01/16
SUM-FREQUENCY GENERATION
MOLECULAR-DYNAMICS
INTERFACIAL WATER
TITANIUM-DIOXIDE
ELECTRON-TRANSFER
TIO2
SPECTROSCOPY
ADSORPTION
LAYER
PHOTOOXIDATION
Kinked-Helix Actinide Polyrotaxanes from Weakly Bound Pseudorotaxane Linkers with Variable Conformations
期刊论文
INORGANIC CHEMISTRY, 2020, 卷号: 59, 期号: 6, 页码: 4058-4067
作者:
Li, Fei-ze
;
Mei, Lei
;
An, Shu-wen
;
Hu, Kong-qiu
;
Chai, Zhi-fang
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  |  
浏览/下载:26/0
  |  
提交时间:2020/12/16
COORDINATION POLYMERS
CHIRAL AMPLIFICATION
STABILITY-CONSTANTS
ORGANIC FRAMEWORK
LIGAND
CUCURBITURIL
PH
COMPLEXATION
CONSTRUCTION
ASSEMBLIES
Microwave-assisted ammonia modification of activated carbon for effective removal of phenol from wastewater: DFT and experiment study
期刊论文
APPLIED SURFACE SCIENCE, 2020, 卷号: 518
作者:
Liu, Xiaoyang
;
Han, Yingying
;
Cheng, Yuchuan
;
Xu, Gaojie
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  |  
浏览/下载:17/0
  |  
提交时间:2020/12/16
ADSORPTIVE REMOVAL
FUNCTIONAL-GROUPS
AQUEOUS-SOLUTION
SURFACE
CHLOROPHENOLS
PERFORMANCE
NANOTUBES
MOLECULES
MECHANISM
OXIDATION
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
Building hierarchical zeolite structure by post-synthesis treatment to promote the conversion of furanic molecules into biofuels
期刊论文
APPLIED CATALYSIS A-GENERAL, 2020, 卷号: 590
作者:
Hu, Danxin
;
Hu Hualei
;
Jin, Haitao
;
Zhang, Pilan
;
Hu, Yunhan
收藏
  |  
浏览/下载:51/0
  |  
提交时间:2020/12/16
CATALYTIC TRANSFORMATION
EFFICIENT PRODUCTION
BENZENE ALKYLATION
ZSM-5 ZEOLITES
ETHERIFICATION
DESILICATION
LEWIS
MFI
PERFORMANCE
PLATFORM
Synthesis of Macromolecular Aromatic Epoxy Resins as Anticorrosive Materials: Computational Modeling Reinforced Experimental Studies
期刊论文
ACS OMEGA, 2020, 卷号: 5, 期号: 7, 页码: 3151-3164
作者:
Dagdag, Omar
;
Safi, Zaki
;
Qiang, Yujie
;
Erramli, Hamid
;
Guo, Lei
收藏
  |  
浏览/下载:64/0
  |  
提交时间:2020/12/16
CORROSION INHIBITION PERFORMANCE
MOLECULAR-DYNAMICS SIMULATION
DENSITY-FUNCTIONAL THEORY
CARBON-STEEL CORROSION
MILD-STEEL
SCHIFF-BASE
HCL MEDIUM
STEREOCHEMICAL CONFORMATION
QUINOLINE DERIVATIVES
ABSOLUTE HARDNESS
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