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Chinese Academy of Sciences Institutional Repositories Grid
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CAS IR Grid
机构
化学研究所 [7]
上海药物研究所 [7]
大连化学物理研究所 [4]
中国科学院大学 [2]
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期刊论文 [25]
会议论文 [1]
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2025 [1]
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2021 [1]
2019 [2]
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学科主题
物理化学 [1]
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Unraveling the mystery of sandwich structure: Emerging photocatalytic hydrogen production by g-C3N5 3 N 5 coupled Nb2C 2 C MXene forming Schottky heterojunction
期刊论文
OAI收割
SEPARATION AND PURIFICATION TECHNOLOGY, 2025, 卷号: 354, 页码: 13
作者:
Zhang, Mingzhi
;
Zhang, Yan
;
Chang, Hui
;
Wang, Wenqi
;
Wu, Lijiang
  |  
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2024/08/30
Niobium carbide Mxene
Nitrogen-rich graphitic carbon nitride
Sandwich-structure
Photocatalytic hydrogen evolution
Schottky junction
Revolutionary amorphous MoP quantum dots as efficient visible light harvester coupled with SiC for boosting photocatalytic hydrogen production
期刊论文
OAI收割
RENEWABLE ENERGY, 2024, 卷号: 235, 页码: 12
作者:
Wang, Wenqi
;
Zhang, Yan
;
Chang, Hui
;
Hu, Shugang
;
Qiu, Ri
  |  
收藏
  |  
浏览/下载:14/0
  |  
提交时间:2024/12/20
Renewable energy
Amorphous MoP
Quantum dot
Co-catalyst
Photocatalytic H(2 )evolution
SPONGE: A GPU-Accelerated Molecular Dynamics Package with Enhanced Sampling and AI-Driven Algorithms
期刊论文
OAI收割
CHINESE JOURNAL OF CHEMISTRY, 2022, 卷号: 40, 期号: 1, 页码: 160-168
作者:
Huang, Yu-Peng
;
Xia, Yijie
;
Yang, Lijiang
;
Wei, Jiachen
;
Yang, Yi Isaac
  |  
收藏
  |  
浏览/下载:79/0
  |  
提交时间:2022/01/13
Molecular dynamics
Molecular modeling
Enhanced sampling
Machine learning
Computational chemistry
Efficient Sr-90 removal from highly alkaline solution by an ultrastable crystalline zirconium phosphonate
期刊论文
OAI收割
CHEMICAL COMMUNICATIONS, 2021
作者:
Zhang, Jiarong
;
Chen, Long
;
Dai, Xing
;
Chen, Lixi
;
Zhai, Fuwan
  |  
收藏
  |  
浏览/下载:42/0
  |  
提交时间:2021/08/30
Enhanced sampling in molecular dynamics
期刊论文
OAI收割
JOURNAL OF CHEMICAL PHYSICS, 2019, 卷号: 151, 期号: 7, 页码: 9
作者:
Yang, Yi Isaac
;
Shao, Qiang
;
Zhang, Jun
;
Yang, Lijiang
;
Gao, Yi Qin
  |  
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2020/07/01
Selective enhanced sampling in dihedral energy facilitates overcoming the dihedral energy increase in protein folding and accelerates the searching for protein native structure
期刊论文
OAI收割
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2019, 卷号: 21, 期号: 20, 页码: 10423-10435
作者:
Shao, Qiang
;
Yang, Lijiang
;
Zhu, Weiliang
  |  
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2020/07/01
Molecular dynamics simulation, ab initio calculation, and size-selected anion photoelectron spectroscopy study of initial hydration processes of calcium chloride
期刊论文
OAI收割
JOURNAL OF CHEMICAL PHYSICS, 2018, 卷号: 148, 期号: 22
作者:
He, Zhili
;
Feng, Gang
;
Yang, Bin
;
Yang, Lijiang
;
Liu, Cheng-Wen
  |  
收藏
  |  
浏览/下载:42/0
  |  
提交时间:2019/04/09
VEGF-165 Regulated sFlt-1 Production in Tropholbast through Both Flt-1 and KDR Receptors
会议论文
OAI收割
The 4th SKLRB Symposium on Reproductive Biology, 中国北京
作者:
Zhonglin Xiao
;
Mingtao Xu
;
Lijiang Ge
;
Qing Yang
;
Xiujun Fan
收藏
  |  
浏览/下载:34/0
  |  
提交时间:2017/01/16
Isopiestic Measurements of Water Activity for the NaCl-KCl-MgCl2-H2O Systems at 323.15 K
期刊论文
OAI收割
JOURNAL OF CHEMICAL AND ENGINEERING DATA, 2015, 卷号: 60, 期号: 4, 页码: 1139-1145
作者:
Han, Haijun
;
Li, Dongdong
;
Guo, Lijiang
;
Yao, Yan
;
Yang, Haitang
  |  
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2018/06/20
From Thermodynamics to Kinetics: Enhanced Sampling of Rare Events
期刊论文
OAI收割
ACCOUNTS OF CHEMICAL RESEARCH, 2015, 卷号: 48, 期号: 4, 页码: 947-955
作者:
Yang, Lijiang
;
Liu, Cheng-Wen
;
Shao, Qiang
;
Zhang, Jun
;
Gao, Yi Qin
  |  
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2019/01/08