How distributed charge reduces the melting points of model ionic salts

GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit

(2013) Sander Pronk et al.   BIOINFORMATICS

Modified Z method to calculate melting curve by molecular dynamics

(2013) Shuaichuang Wang et al.   JOURNAL OF CHEMICAL PHYSICS

High-pressure behavior of FeOCl

(2013) Maxim Bykov et al.   PHYSICAL REVIEW B

A comparison of methods for melting point calculation using molecular dynamics simulations

(2012) Yong Zhang et al.   JOURNAL OF CHEMICAL PHYSICS

Preparation and superconductivity of intercalation compounds of TiNCl with aliphatic amines

(2012) Shoji Yamanaka et al.   JOURNAL OF MATERIALS CHEMISTRY

Phase behaviour and dynamics in primitive models of molecular ionic liquids

(2011) Ganzenmüller et al.   Condensed Matter Physics

Rotational relaxation characteristics of the monoclinic phase of CCl4

(2011) Mariano Zuriaga et al.   JOURNAL OF CHEMICAL PHYSICS

Atomistic simulations of the solid-liquid transition of 1-ethyl-3-methyl imidazolium bromide ionic liquid

(2011) Haijun Feng et al.   JOURNAL OF CHEMICAL PHYSICS

Towards large-scale, fully ab initio calculations of ionic liquids

(2011) Ekaterina I. Izgorodina   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Structural and dynamical properties of ionic liquids: Competing influences of molecular properties

(2010) Heidrun V. Spohr et al.   JOURNAL OF CHEMICAL PHYSICS

Dynamics in an Idealized Ionic Liquid Model

(2010) Durba Roy et al.   JOURNAL OF PHYSICAL CHEMISTRY B

In Silico Prediction of the Melting Points of Ionic Liquids from Thermodynamic Considerations: A Case Study on 67 Salts with a Melting Point Range of 337 °C

(2010) Ulrich Preiss et al.   JOURNAL OF PHYSICAL CHEMISTRY B

An Improved Four-Site Ionic Liquid Model

(2010) Durba Roy et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Unraveling Dynamical Heterogeneity in the Ionic Liquid 1-Butyl-3-methylimidazolium Chloride

(2010) Sérgio M. Urahata et al.   Journal of Physical Chemistry Letters

Structural and dynamical properties of ionic liquids: The influence of charge location

(2009) H. V. Spohr et al.   JOURNAL OF CHEMICAL PHYSICS

Structure and superconductivity of the intercalation compounds of TiNCl with pyridine and alkali metals as intercalants

(2009) Shoji Yamanaka et al.   JOURNAL OF MATERIALS CHEMISTRY

Prediction of binary hard-sphere crystal structures

(2009) Laura Filion et al.   PHYSICAL REVIEW E

Simulations of phase transitions and free energies for ionic systems

(2008) Antti-Pekka Hynninen et al.   MOLECULAR PHYSICS

Understanding Ionic Liquids at the Molecular Level: Facts, Problems, and Controversies

(2007) Hermann Weingärtner   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Orientational Order and Rotational Relaxation in the Plastic Crystal Phase of Tetrahedral Molecules†

(2007) Rossend Rey   JOURNAL OF PHYSICAL CHEMISTRY B