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理论物理研究所 [10]
宁波材料技术与工程研... [2]
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期刊论文 [12]
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2020 [2]
2018 [5]
2016 [5]
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Chemistry [12]
Physics [4]
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Investigation of Losartan Potassium as an eco-friendly corrosion inhibitor for copper in 0.5 M H2SO4
期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2020, 卷号: 305
作者:
Li, Hao
;
Zhang, Shengtao
;
Tan, Bochuan
;
Qiang, Yujie
;
Li, Wenpo
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浏览/下载:22/0
  |  
提交时间:2020/12/16
MILD-STEEL CORROSION
SULFURIC-ACID
MOLECULAR-DYNAMICS
CARBON-STEEL
IONIC LIQUIDS
ANTICORROSIVE MECHANISM
STAINLESS-STEEL
CU CORROSION
HCL SOLUTION
EXTRACT
Influence of the ion size on the stability of the smectic phase of ionic liquid crystals
期刊论文
SOFT MATTER, 2020, 卷号: 16, 期号: 2, 页码: 411-420
作者:
Cao, Wudi
;
Senthilkumar, Beeran
;
Causin, Valerio
;
Swamy, Vincent P.
;
Wang, Yanting
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  |  
浏览/下载:26/0
  |  
提交时间:2020/06/16
MOLECULAR-DYNAMICS SIMULATIONS
SPATIAL HETEROGENEITY
THERMAL-BEHAVIOR
CHAIN-LENGTH
GUANIDINIUM
TRANSITION
AGGREGATION
TRANSPORT
INSIGHTS
STATE
Aggregation behavior of dihexadecylviologen bistriflimide ionic liquid crystal in different solvents: influence of polarity and concentration
期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2018, 卷号: 20, 期号: 35, 页码: 22730-22738
作者:
Li, S
;
Saielli, G
;
Wang, YT
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浏览/下载:39/0
  |  
提交时间:2018/12/27
ELECTROCHROMIC DEVICES
DIELECTRIC-CONSTANT
MOLECULAR-SOLVENTS
ORGANIC-MOLECULES
AQUEOUS-SOLUTIONS
DFT CALCULATIONS
FORCE-FIELD
VIOLOGEN
NMR
SIMULATIONS
Metastable State during Melting and Solid-Solid Phase Transition of [C&ITn&ITMim][NO3] (&ITn&IT=4-12) Ionic Liquids by Molecular Dynamics Simulation
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2018, 卷号: 122, 期号: 1, 页码: 229-239
作者:
Cao, WD
;
Wang, YT
;
Saielli, G
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  |  
浏览/下载:34/0
  |  
提交时间:2018/12/27
HEXAFLUOROPHOSPHATE SALTS
CHAIN-LENGTH
FORCE-FIELD
CRYSTALS
BEHAVIOR
DIFFUSION
INSIGHTS
SYSTEMS
Metastable State during Melting and Solid-Solid Phase Transition of [C&ITn&ITMim][NO3] (&ITn&IT=4-12) Ionic Liquids by Molecular Dynamics Simulation
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2018, 卷号: 122, 期号: 1, 页码: 229-239
作者:
Wang, YT
;
Cao, WD
;
Saielli, G
收藏
  |  
浏览/下载:76/0
  |  
提交时间:2018/12/26
HEXAFLUOROPHOSPHATE SALTS
CHAIN-LENGTH
FORCE-FIELD
CRYSTALS
BEHAVIOR
DIFFUSION
INSIGHTS
SYSTEMS
Aggregation behavior of dihexadecylviologen bistriflimide ionic liquid crystal in different solvents: influence of polarity and concentration
期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2018, 卷号: 20, 期号: 35, 页码: 22730-22738
作者:
Saielli, G
;
Li, S
;
Wang, YT
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2018/12/26
ELECTROCHROMIC DEVICES
DIELECTRIC-CONSTANT
MOLECULAR-SOLVENTS
ORGANIC-MOLECULES
AQUEOUS-SOLUTIONS
DFT CALCULATIONS
FORCE-FIELD
VIOLOGEN
NMR
SIMULATIONS
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
收藏
  |  
浏览/下载:35/0
  |  
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
Effect of Ion Rigidity on Physical Properties of Ionic Liquids Studied by Molecular Dynamics Simulation
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2016, 卷号: 120, 期号: 25, 页码: 5678-5690
作者:
Ramirez-Gonzalez, PE
;
Ren, G
;
Saielli, G
;
Wang, YT
;
Wang, YT (reprint author), Chinese Acad Sci, Inst Theoret Phys, CAS Key Lab Theoret Phys, 55 East Zhongguancun Rd,POB 2735, Beijing 100190, Peoples R China.
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2017/10/13
Effect of Ion Rigidity on Physical Properties of Ionic Liquids Studied by Molecular Dynamics Simulation
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2016, 卷号: 120, 期号: 25, 页码: 5678-5690
作者:
Wang, YT
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  |  
浏览/下载:13/0
  |  
提交时间:2017/02/27
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
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