Li+ solvation and kinetics of Li+–BF4−/PF6− ion pairs in ethylene carbonate. A molecular dynamics study with classical rate theories

Li+–Oligoglyme Association in the Presence of Ionic Liquid Studied by Molecular Dynamics and Explicit or Implicit Solvent Model

(2015) Andrzej Eilmes et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Dielectric Relaxation of Ethylene Carbonate and Propylene Carbonate from Molecular Dynamics Simulations

(2015) Xinli You et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Lithium Ion Solvation and Diffusion in Bulk Organic Electrolytes from First-Principles and Classical Reactive Molecular Dynamics

(2015) Mitchell T. Ong et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Models of Ion Solvation Thermodynamics in Ethylene Carbonate and Propylene Carbonate

(2015) Ayse Arslanargin et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Li+ Solvation in Pure, Binary, and Ternary Mixtures of Organic Carbonate Electrolytes

(2015) Ioannis Skarmoutsos et al.   Journal of Physical Chemistry C

Effect of Anions on Lithium Ion Conduction in Poly(ethylene carbonate)-based Polymer Electrolytes

(2015) Y. Tominaga et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Gas Evolution in Operating Lithium-Ion Batteries Studied In Situ by Neutron Imaging

(2015) Barbara Michalak et al.   Scientific Reports

Coordination Number of Li+ in Nonaqueous Electrolyte Solutions Determined by Molecular Rotational Measurements

(2014) Kaijun Yuan et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Temperature Dependence of Self-Diffusion Coefficients of Ions and Solvents in Ethylene Carbonate, Propylene Carbonate, and Diethyl Carbonate Single Solutions and Ethylene Carbonate + Diethyl Carbonate Binary Solutions of LiPF6 Studied by NMR

(2012) Kikuko Hayamizu   JOURNAL OF CHEMICAL AND ENGINEERING DATA

Electronic Structure Modeling of Electrochemical Reactions at Electrode/Electrolyte Interfaces in Lithium Ion Batteries

(2012) Kevin Leung   Journal of Physical Chemistry C

Solid–Electrolyte Interphase Formation and Electrolyte Reduction at Li-Ion Battery Graphite Anodes: Insights from First-Principles Molecular Dynamics

(2012) P. Ganesh et al.   Journal of Physical Chemistry C

Lithium-Ion Conducting Electrolyte Salts for Lithium Batteries

(2011) Vanchiappan Aravindan et al.   CHEMISTRY-A EUROPEAN JOURNAL

Development of Polarizable Models for Molecular Mechanical Calculations I: Parameterization of Atomic Polarizability

(2011) Junmei Wang et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Anion Effects on Interfacial Absorption of Gases in Ionic Liquids. A Molecular Dynamics Study

(2011) Liem X. Dang et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Vapour pressure and enthalpy of vaporization of cyclic alkylene carbonates

(2008) Sergey P. Verevkin et al.   FLUID PHASE EQUILIBRIA