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化学研究所 [34]
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Dimeric cation-cation aggregates stabilized by 2Ch-2N chalcogen bonds: Crystallographic and theoretical evidences
期刊论文
OAI收割
CHEMICAL PHYSICS, 2024, 卷号: 576, 页码: 10
作者:
Liu, Na
;
Han, Zijian
;
Lu, Yunxiang
;
Xu, Zhijian
;
Zhu, Weiliang
  |  
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2023/12/11
2Ch-2N chalcogen bonds
Homocations
Solvents
Evidences
Loratadine oral bioavailability enhancement via solid dispersion loaded oro-dispersible films: Formulation, characterization and pharmacokinetics
期刊论文
OAI收割
COLLOIDS AND SURFACES B-BIOINTERFACES, 2023, 卷号: 230
作者:
Islam, Nayyer
;
Khan, Naveed Ullah
;
Razzaq, Anam
;
Menaa, Farid
;
Khan, Zaheer Ullah
  |  
收藏
  |  
浏览/下载:8/0
  |  
提交时间:2023/11/17
Loratadine
Solid dispersion
Oro-dispersible film
Bioavailability
Urticaria
An experimental study on microanalytical characterizations and service performances of landfill modified municipal sludge liner materials in contact with leachate
期刊论文
OAI收割
CASE STUDIES IN CONSTRUCTION MATERIALS, 2023, 卷号: 18
作者:
Liu, Mengyi
;
Lu, Haijun
;
Wang, Chaofeng
;
Liu, Yajun
  |  
收藏
  |  
浏览/下载:55/0
  |  
提交时间:2023/08/02
Modified municipal sludge
Liner materials
Landfill leachate
Service performances
Microstructure characteristics
Density Functional Theory Calculations of Equilibrium Mo Isotope Fractionation Factors among MoO
x
S
4-
x
2-
Species in the Aqueous Phase by the ONIOM Method
期刊论文
OAI收割
ACS EARTH AND SPACE CHEMISTRY, 2023, 卷号: 7, 期号: 1, 页码: 142-155
作者:
He, Yuyang
;
Gao, Caihong
;
Wei, Wei
;
Liu, Yun
  |  
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2024/01/08
paleoredox proxy
ab initio molecular dynamics
implicit solvent model
dispersion correction
water-droplet
periodical boundary condition
Density Functional Theory Calculations of Equilibrium Mo Isotope Fractionation Factors among MoO
x
S
4-
x
2-
Species in the Aqueous Phase by the ONIOM Method
期刊论文
OAI收割
ACS EARTH AND SPACE CHEMISTRY, 2023, 卷号: 7, 期号: 1, 页码: 142-155
作者:
He, Yuyang
;
Gao, Caihong
;
Wei, Wei
;
Liu, Yun
  |  
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2024/01/09
paleoredox proxy
ab initio molecular dynamics
implicit solvent model
dispersion correction
water-droplet
periodical boundary condition
Quantum chemistry insight into the interactions of 1,3-diisopropoxycalix[4]arenecrown-6 with alkali metal cations: Structure, selectivity, and solvation
期刊论文
OAI收割
JOURNAL OF MOLECULAR LIQUIDS, 2023, 卷号: 370, 页码: 9
作者:
Xing, Huifang
;
Meng, Qiyu
;
Yang, Liangrong
;
Chen, Congmei
;
Liu, Huizhou
  |  
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2023/02/24
BPC6
Alkali metal cations
DFT
IGMH
Selectivity
Solvation
Performance prediction of disc and doughnut extraction columns using bayes optimization algorithm-based machine learning models
期刊论文
OAI收割
CHEMICAL ENGINEERING AND PROCESSING-PROCESS INTENSIFICATION, 2023, 卷号: 183, 页码: 11
作者:
Su, Zhenning
;
Wang, Yong
;
Tan, Boren
;
Cheng, Quanzhong
;
Duan, Xiaofei
  |  
收藏
  |  
浏览/下载:0/0
  |  
提交时间:2023/05/19
Pulsed disk and doughnut column
Machine learning
Modeling
Feature importance
Density Functional Theory Calculations of Equilibrium Mo Isotope Fractionation Factors among MoOxS4-x2- Species in the Aqueous Phase by the ONIOM Method
期刊论文
OAI收割
ACS EARTH AND SPACE CHEMISTRY, 2022, 页码: 14
作者:
He YY(何雨旸)
;
Gao,Caihong
;
Wei,Wei
;
Liu,Yun
  |  
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2023/02/03
paleoredox proxy
ab initio molecular dynamics
implicit solvent model
dispersion correction
water-droplet
periodical boundary condition
Density Functional Theory Calculations of Equilibrium Mo Isotope Fractionation Factors among MoOxS4-x2- Species in the Aqueous Phase by the ONIOM Method
期刊论文
OAI收割
ACS EARTH AND SPACE CHEMISTRY, 2022, 页码: 14
作者:
He, Yuyang
;
Gao, Caihong
;
Wei, Wei
;
Liu, Yun
  |  
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2023/03/31
paleoredox proxy
ab initio molecular dynamics
implicit solvent model
dispersion correction
water-droplet
periodical boundary condition
Porous fluorine-doped tin oxide-anchored vanadium oxide films for multi-functional highly capacitive electrochromic layers
期刊论文
OAI收割
JOURNAL OF ALLOYS AND COMPOUNDS, 2022, 卷号: 923, 页码: 7
作者:
Jeong, Seock-Joon
;
Kim, Kue-Ho
;
Bai, Shuo
;
Ahn, Hyo-Jin
  |  
收藏
  |  
浏览/下载:14/0
  |  
提交时间:2023/02/24
Films
Transition metal oxides
Pore structure
Multi-functional devices
Electrochromic energy storage performances