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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:12/0
  |  
提交时间:2023/01/16
JUMP MECHANISM
CLUSTERS
EXCHANGE
SPECTROSCOPY
DIFFUSION
NETWORKS
CELL
Femtosecond real-time probing of the excited-state intramolecular proton transfer reaction in methyl salicylate
期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2019, 卷号: 151, 期号: 9, 页码: 7
作者:
Ling, Fengzi
;
Liu, Dejun
;
Li, Shuai
;
Li, Wei
;
Zhang, Bing
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  |  
浏览/下载:76/0
  |  
提交时间:2019/12/06
A global model study of the population dynamics of molecular hydrogen and the generation of negative hydrogen ions in low-pressure ICP discharge with an expansion region: effects of EEPF
期刊论文
PLASMA SOURCES SCIENCE & TECHNOLOGY, 2018, 卷号: 27
作者:
Yang, Wei
;
Li, Hong
;
Gao, Fei
;
Wang, You-Nian
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  |  
浏览/下载:5/0
  |  
提交时间:2019/12/02
population dynamics of molecular hydrogen
production of negative hydrogen ions
effects of EEPF and pressure
global model
low-pressure ICP discharge
Polarization Effects on the Cellulose Dissolution in Ionic Liquids: Molecular Dynamics Simulations with Polarization Model and Integrated Tempering Enhanced Sampling Method
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2017
Kan, Zigui
;
Zhu, Qang
;
Yang, Lijiang
;
Huang, Zhixiong
;
Jin, Biaobing
;
Ma, Jing
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  |  
浏览/下载:4/0
  |  
提交时间:2017/12/03
1,3-DIMETHYLIMIDAZOLIUM CHLORIDE
GLUCOSE SOLVATION
FORCE-FIELDS
SOLVENTS
WATER
NMR
DEFINITION
POLAR
Hydration Dynamics of Cyanoferrate Anions Examined by Ultrafast Infrared Spectroscopy
期刊论文
journal of physical chemistry b, 2014, 卷号: 118, 期号: 11, 页码: 3104-3114
作者:
Yu, Pengyun
;
Yang, Fan
;
Zhao, Juan
;
Wang, Jianping
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  |  
浏览/下载:32/0
  |  
提交时间:2015/11/17
Simultaneously Probing Two Ultrafast Condensed-Phase Molecular Symmetry Breaking Events by Two-Dimensional Infrared Spectroscopy
期刊论文
chemphyschem, 2013, 卷号: 14, 期号: 11, 页码: 2497-2504
作者:
Yang, Fan
;
Yu, Pengyun
;
Zhao, Juan
;
Wang, Jianping
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  |  
浏览/下载:13/0
  |  
提交时间:2015/11/09
density functional calculations
IR spectroscopy
symmetry breaking
time-resolved spectroscopy
ultrafast spectroscopy
Water plays an important role in osmolyte-induced hairpin structure change: A molecular dynamics simulation study
期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2012, 卷号: 137, 期号: 14
作者:
Shao, Qiang
;
Gao, Yi Qin
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  |  
浏览/下载:13/0
  |  
提交时间:2019/01/08
biochemistry
hydrogen bonds
molecular biophysics
molecular dynamics method
proteins
water
Theoretical analysis of photoinduced H-atom elimination in thiophenol
期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2012, 卷号: 136, 期号: 17
作者:
Venkatesan, T. S.
;
Ramesh, S. G.
;
Lan, Z.
;
Domcke, W.
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  |  
浏览/下载:18/0
  |  
提交时间:2012/11/11
Water plays an important role in osmolyte-induced hairpin structure change: A molecular dynamics simulation study
期刊论文
journal of chemical physics, 2012
Shao, Qiang
;
Gao, Yi Qin
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  |  
浏览/下载:11/0
  |  
提交时间:2015/11/12
biochemistry
hydrogen bonds
molecular biophysics
molecular dynamics method
proteins
water
BETA-HAIRPIN
CONFORMATIONAL-CHANGES
AQUEOUS-SOLUTION
DENATURED STATE
PROTEIN-A
B-DOMAIN
TRIFLUOROETHANOL
PEPTIDES
MECHANISM
NMR
Effects of reagent vibrational excitation on the dynamics of the H+CHD3 -> H-2+CD3 reaction: A seven-dimensional time-dependent wave packet study
期刊论文
journal of chemical physics, 2011, 卷号: 135, 期号: 2
作者:
Zhou, Yong
;
Wang, Chunrui
;
Zhang, Dong H.
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  |  
浏览/下载:15/0
  |  
提交时间:2015/11/12
chemical exchanges
excited states
hydrogen neutral atoms
organic compounds
potential energy surfaces
reaction kinetics theory
reaction rate constants
vibrational states
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