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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
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2023/01/16
JUMP MECHANISM
CLUSTERS
EXCHANGE
SPECTROSCOPY
DIFFUSION
NETWORKS
CELL
Cooling rate dependence of Ni-catalyzed transformation of amorphous carbon into graphene in rapid thermal processing: An experimental and reactive molecular dynamics study
期刊论文
APPLIED SURFACE SCIENCE, 2020, 卷号: 529
作者:
Li, Xiaowei
;
Li, Hanchao
;
Lee, Kwang-Ryeol
;
Wang, Aiying
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  |  
浏览/下载:107/0
  |  
提交时间:2020/12/16
HIGH-QUALITY
GROWTH
FILMS
FIELD
Computational analysis of a high-efficiency tunnel oxide passivated contact (TOPCon) solar cell with a low-work-function electron-selective-collection layer
期刊论文
SOLAR ENERGY, 2018, 卷号: 170, 页码: 780-787
作者:
Wang, Dan
;
Quan, Cheng
;
Zeng, Yuheng
;
Liao, Mingdun
;
Tong, Hui
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  |  
浏览/下载:125/0
  |  
提交时间:2018/12/04
Si
How Does the Hydrogen Bonding Interaction Influence the Properties of Polybenzoxazine? An Experimental Study Combined with Computer Simulation
期刊论文
MACROMOLECULES, 2018, 卷号: 51, 期号: 13, 页码: 4782-4799
作者:
Zhu, Jin
;
Du, Shiyu
;
Liu, Xiaoqing
;
Dai, Jinyue
;
Liu, Yuan
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  |  
浏览/下载:41/0
  |  
提交时间:2018/12/04
Ring-opening Polymerization
Fiber-reinforced Polybenzoxazine
Functional Benzoxazine Monomers
Thermomechanical Properties
Mechanical-properties
Molecular-dynamics
Thermal-properties
Thermoset Polymer
Network Structure
Curing Kinetics
Theoretical exploration towards high-efficiency tunnel oxide passivated carrier-selective contacts (TOPCon) solar cells
期刊论文
SOLAR ENERGY, 2017, 卷号: 155, 页码: 654-660
作者:
Cai, Liang
;
Yang, Zhenhai
;
Chen, Kangmin
;
Yuan, Zhizhong
;
Yan, Baojie
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  |  
浏览/下载:36/0
  |  
提交时间:2018/12/04
Rear Contacts
Simulation
Mechanism of pyrophosphate ion release in T7 RNA polymerase revealed by free energy simulations
期刊论文
COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2016, 卷号: 1094, 页码: 127-132
作者:
Wu, SG
;
Jiang, MQ
;
Liu, L
;
Wu, SG (reprint author), Sichuan Normal Univ, Coll Chem & Mat Sci, Chengdu 610068, Peoples R China.
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  |  
浏览/下载:17/0
  |  
提交时间:2017/10/13
Molecular Dynamics Simulation
T7 Rna Polymerase
Ppi Release
Potential Of Mean Force
Free Energy Calculation for Base Pair Dissociation in a DNA Duplex
期刊论文
ACTA PHYSICO-CHIMICA SINICA, 2016, 卷号: 32, 期号: 5, 页码: 1282-1288
作者:
Wu, SG
;
Wu, SG (reprint author), Chinese Acad Sci, Inst Theoret Phys, State Key Lab Theoret Phys, Beijing 100190, Peoples R China.
;
Wu, SG (reprint author), Sichuan Normal Univ, Coll Chem & Mat Sci, Chengdu 610068, Peoples R China.
;
Feng, D
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  |  
浏览/下载:13/0
  |  
提交时间:2017/10/13
Potential Of Mean Force
Hydrogen Bond
Molecular Dynamics Simulation
Umbrella Sampling
Free Energy Calculation for Base Pair Dissociation in a DNA Duplex
期刊论文
ACTA PHYSICO-CHIMICA SINICA, 2016, 卷号: 32, 期号: 5, 页码: 1282-1288
作者:
Wu, SG
;
Feng, D
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  |  
浏览/下载:13/0
  |  
提交时间:2019/04/08
Potential of mean force
MOLECULAR-DYNAMICS SIMULATIONS
Hydrogen bond
PARTICLE MESH EWALD
Molecular dynamics simulation
NUCLEIC-ACIDS
Umbrella sampling
FORCE-FIELD
RNA
TRIPHOSPHATE
MECHANICS
GROMACS
Mechanism of pyrophosphate ion release in T7 RNA polymerase revealed by free energy simulations
期刊论文
COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2016, 卷号: 1094, 页码: 127-132
作者:
Wu, SG
;
Jiang, MQ
;
Liu, L
收藏
  |  
浏览/下载:109/0
  |  
提交时间:2019/04/08
Molecular dynamics simulation
PARTICLE MESH EWALD
T7 RNA polymerase
MOLECULAR-DYNAMICS
PPi release
TRANSLOCATION
Potential of mean force
DNA
Air bubble resistant and disposable microPCR chip with a portable and programmable device for forensic test
期刊论文
SENSORS AND ACTUATORS B-CHEMICAL, 2015, 卷号: 212, 期号: JUN, 页码: 472-480
作者:
Xu, Jiandong
;
Lv, Xuefei
;
Wei, Yuping
;
Zhang, Liang
;
Li, Rui
收藏
  |  
浏览/下载:25/0
  |  
提交时间:2015/05/12
Dispoable microPCR chip
NOA81
Portable and programmable PCR device
Air bubble resistant
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