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Source Publication:JOURNAL OF PHYSICAL CHEMISTRY B
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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
Authors:
Cao, WD
;
Wang, YT
;
Saielli, G
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Submit date:2018/12/27
HEXAFLUOROPHOSPHATE SALTS
CHAIN-LENGTH
FORCE-FIELD
CRYSTALS
BEHAVIOR
DIFFUSION
INSIGHTS
SYSTEMS
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
Authors:
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.
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Submit date:2017/10/13
Role of the Electrostatic Interactions in the Stabilization of Ionic Liquid Crystals: Insights from Coarse-Grained MD Simulations of an Imidazolium Model
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2016, 卷号: 120, 期号: 34, 页码: 9152-9160
Authors:
Saielli, G
;
Wang, YT
;
Saielli, G (reprint author), Univ Padua, Unit Padova, CNR Inst Membrane Technol, Via Marzolo, I-35131 Padua, Italy.
;
Saielli, G (reprint author), Univ Padua, Dept Chem Sci, Via Marzolo, I-35131 Padua, Italy.
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Submit date:2017/10/13
Insights on the Isotropic-to-Smectic A Transition in Ionic Liquid Crystals from Coarse-Grained Molecular Dynamics Simulations: The Role of Microphase Segregation
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2015, 卷号: 119, 期号: 9, 页码: 3829-3836
Authors:
Saielli, G
;
Bagno, A
;
Wang, YT
;
Saielli, G (reprint author), CNR, Inst Membrane Technol, Unit Padova, Via Marzolo, I-35131 Padua, Italy.
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Submit date:2016/11/21
Ion-Cage Interpretation for the Structural and Dynamic Changes of Ionic Liquids under an External Electric Field
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2013, 卷号: 117, 期号: 17, 页码: 5102-5112
Authors:
Shi, R
;
Wang, YT
;
Wang, YT (reprint author), Chinese Acad Sci, Inst Theoret Phys, State Key Lab Theoret Phys, 55 East Zhongguancun Rd,POB 2735, Beijing 100190, Peoples R China.
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View/Download:96/10
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Submit date:2014/04/25
Molten Sodium-chloride
Molecular-dynamics
Double-layer
Differential Capacitance
Electromagnetic-fields
Electrolyte-solutions
Transport-properties
Computer-simulation
Stokes-einstein
Self-diffusion