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Prediction of Solvate Based on Graph Attention Network
期刊论文
CRYSTAL GROWTH & DESIGN, 2025, 卷号: 25, 期号: 2
作者:
Sun, Shihui
;
Wang, Jian-Rong
;
Tang, Lei
;
Fan, Zhehuan
;
Li, Xutong
Adobe PDF(4799Kb)
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浏览/下载:59/1
|
提交时间:2025/01/13
Physicochemical properties
Active pharmaceuticals ingredients
Attention mechanisms
Crystal properties
Crystallization process
Drug quality
Graph neural networks
Model-based OPC
Neural network model
Pharmaceutical development
Residual solvents
Elemental Reaction Steps between Elemental Sulfur and Metal Carboxylate during the Synthesis of Metal Sulfide Nanocrystals in Hydrocarbon Solvents
期刊论文
CHEMISTRY OF MATERIALS, 2025, 卷号: 37, 期号: 1, 页码: 349-359
作者:
Zhao, Zhuo
;
Pu, Chaodan
Adobe PDF(3741Kb)
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浏览/下载:100/8
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提交时间:2025/01/13
Carboxylation
Nanocrystals
Near infrared spectroscopy
Sulfur determination
Colloidal quantum dots
Elemental metals
Elemental sulphur
Hydrocarbon solvents
Metal carboxylate
Metal oleates
Metal sulfides
Metals ions
Reaction process
Reaction steps
Identification and Screening of Trace and Multityped Solvents Using Transpiration-Driven Electrokinetic Generation Principle
期刊论文
NANO LETTERS, 2025, 卷号: 25, 期号: 6, 页码: 2396-2403
作者:
Gao, Wenli
;
Yu, Mengfei
;
Cao, Leitao
;
Wen, Piao
;
Sun, Yi
Adobe PDF(7696Kb)
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浏览/下载:66/2
|
提交时间:2025/02/17
transpiration-driven electrokinetic power generators
polar solvents detection
machine learning
MoS2-doped cellulose
solvent recognition sensors
A comprehensive study on three typical photoacid generators using photoelectron spectroscopy and ab initio calculations
期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2024, 卷号: 161, 期号: 5
作者:
Jiang, Yanrong
;
Cao, Wenjin
;
Hu, Zhubin
;
Yue, Zhongyao
;
Bai, Chunyuan
Adobe PDF(5605Kb)
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浏览/下载:373/3
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提交时间:2024/08/23
Continuum mechanics
Excited states
Photoelectron spectroscopy
Photolysis
Photoresists
Solvents
193 nm photoresists
Ab initio calculations
Molecular levels
P-toluenesulfonates
Performance
Photoacid generators
Rational design
Reaction energy
Red shift
Triflates
A high performance fireproof quasi-solid-state electrolyte enabled by multi-phase synergistic mechanism
期刊论文
ENERGY STORAGE MATERIALS, 2024, 卷号: 68
作者:
Bao, Chengshuai
;
Zheng, Chujun
;
Zhang, Jie
;
Zhang, Yan
;
You, Zichang
Adobe PDF(16748Kb)
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浏览/下载:269/0
|
提交时间:2024/04/12
Lithium compounds
Lithium-ion batteries
Polymer matrix composites
Powder metals
Solvents
Fireproof
Li metal
Li-metal battery
Multi-phase synergistic
Non-flammable
Polymer matrices
Porous composites
Safety performance
Solid-state electrolyte
Synergistic mechanism
Rapid coating of polyamide, polyurea, and polythiourea on metal-organic framework surfaces
期刊论文
APL MATERIALS, 2024, 卷号: 12, 期号: 3
作者:
Huang, Yunmei
;
Qi, Anheng
;
Li, Siqi
;
Tang, Lu
;
Zhao, Yingbo
Adobe PDF(7366Kb)
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浏览/下载:309/2
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提交时间:2024/04/12
Chemical stability
Composite materials
Crystalline materials
Mercury compounds
Organometallics
Phase separation
Plastic coatings
Polymerization
Shells (structures)
Core shell composite particles
Metalorganic frameworks (MOFs)
Non-solvents
Particle surface
Polymerization method
Polyureas
Shell layers
Solvent induced
Solvent-induced phase separations
Surface polymerization
Unveiling the potential of novel recyclable deep eutectic solvent pretreatment: Effective separation of lignin from poplar hydrolyzed residue
期刊论文
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES, 2024, 卷号: 259
作者:
Chen, Xiaomiao
;
Liu, Qianjing
;
Li, Baoguo
;
Wang, Na
;
Liu, Caoyunrong
Adobe PDF(5625Kb)
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收藏
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浏览/下载:358/2
|
提交时间:2024/02/02
Biomass
Cellulose
Chlorine compounds
Ethylene
Ethylene glycol
Fourier transform infrared spectroscopy
Iron compounds
Lignin
Organic solvents
Saccharification
Scanning electron microscopy
Wood
Ammonium chloride
Deep eutectic solvent pretreatment
Deep eutectic solvents
Enzyme digestibility
Fermentable sugars
Lignocellulosic biomass
Poplar
Recyclables
Solvent pretreatment
Value added products
Mesostructured Fibrils Exfoliated in Deep Eutectic Solvent as Building Blocks of Collagen Membranes
期刊论文
POLYMERS, 2023, 卷号: 15, 期号: 19
作者:
Pei, Ying
;
Li, Wei
;
Wang, Lu
;
Cui, Jing
;
Li, Lu
Adobe PDF(3081Kb)
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收藏
|
浏览/下载:1595/872
|
提交时间:2023/10/27
Biomechanics
Collagen
Eutectics
Mammals
Metabolism
Molecular dynamics
Solvents
Tendons
Achilles tendons
Bovine achilles tendon
Building blockes
Collagen fibrils
Collagen membrane
Deep eutectic solvents
Exfoliation
Fibril
Liquid exfoliations
Mesostructured
Tracking twisted intramolecular charge transfer and isomerization dynamics in 9-(2,2-dicyanovinyl) julolidine using femtosecond stimulated Raman spectroscopy
期刊论文
CHINESE JOURNAL OF CHEMICAL PHYSICS, 2023, 卷号: 36, 期号: 4, 页码: 397-403
作者:
Wang, Zhengxin
;
Jiang, Jiaming
;
Huang, Yifan
;
Liu, Weimin
收藏
|
浏览/下载:313/0
|
提交时间:2023/10/13
Excited states
Ground state
Hydrogen
Isomerization
Isomers
Quantum chemistry
Raman spectroscopy
Solvents
Structural dynamics
Charge transfer state
Excited-states
Femtosecond stimulated raman spectroscopies
Hydrogen out-of plane mode
Intra-molecular charge transfer
Intramolecular charge transfers
Isomerisation
Out-of-plane modes
Twisted intra-molecular charge transfers
Twisted intralomecular charge transfer
How to obtain high monolayer content in liquid phase exfoliation of graphene: A molecular dynamic simulation
期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2023, 卷号: 382
作者:
Cai, Lu
;
Tan, Guangsu
;
Jing, Xiaohan
;
Wu, Yanguang
;
Liu, Zhitian
Adobe PDF(4551Kb)
|
收藏
|
浏览/下载:473/0
|
提交时间:2023/05/12
Chemical vapor deposition
Graphene
Monolayers
Shear flow
Solvents
Chemical vapour deposition
Dynamic process
Dynamics simulation
Efficient path
Liquid Phase
Liquid phase exfoliation
Liquid phasis
Molecular dynamic simulation
Monolayer content
Shear force
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