Anion Specific Effects Drive the Formation of Li-Salt Based Aqueous Biphasic Systems

A rechargeable zinc-air battery based on zinc peroxide chemistry

(2021) Wei Sun et al.   SCIENCE

Confining Water in Ionic and Organic Solvents to Tune Its Adsorption and Reactivity at Electrified Interfaces

(2021) Alessandra Serva et al.   ACCOUNTS OF CHEMICAL RESEARCH

Correlation Length in Concentrated Electrolytes: Insights from All-Atom Molecular Dynamics Simulations

(2020) Samuel W. Coles et al.   JOURNAL OF PHYSICAL CHEMISTRY B

CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations

(2020) Thomas D. Kühne et al.   JOURNAL OF CHEMICAL PHYSICS

TRAVIS—A free analyzer for trajectories from molecular simulation

(2020) M. Brehm et al.   JOURNAL OF CHEMICAL PHYSICS

Chasing Aqueous Biphasic Systems from Simple Salts by Exploring the LiTFSI/LiCl/H2O Phase Diagram

(2019) Nicolas Dubouis et al.   ACS Central Science

Aqueous Li-ion battery enabled by halogen conversion–intercalation chemistry in graphite

(2019) Chongyin Yang et al.   NATURE

Hydrogen bond basicity of ionic liquids and molar entropy of hydration of salts as major descriptors in the formation of aqueous biphasic systems

(2018) Helena Passos et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Pioneering Use of Ionic Liquid-Based Aqueous Biphasic Systems as Membrane-Free Batteries

(2018) Paula Navalpotro et al.   Advanced Science

Unique aqueous Li-ion/sulfur chemistry with high energy density and reversibility

(2017) Chongyin Yang et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Software update: the ORCA program system, version 4.0

(2017) Frank Neese   Wiley Interdisciplinary Reviews-Computational Molecular Science

The Electrostatic Screening Length in Concentrated Electrolytes Increases with Concentration

(2016) Alexander M. Smith et al.   Journal of Physical Chemistry Letters

Domain Analysis in Nanostructured Liquids: A Post-Molecular Dynamics Study at the Example of Ionic Liquids

(2015) Martin Brehm et al.   CHEMPHYSCHEM

"Water-in-salt" electrolyte enables high-voltage aqueous lithium-ion chemistries

(2015) L. Suo et al.   SCIENCE

Aqueous biphasic systems: a boost brought about by using ionic liquids

(2012) Mara G. Freire et al.   CHEMICAL SOCIETY REVIEWS

Aqueous biphasic systems composed of a water-stable ionic liquid + carbohydrates and their applications

(2011) Mara G. Freire et al.   GREEN CHEMISTRY

VESTA 3for three-dimensional visualization of crystal, volumetric and morphology data

(2011) Koichi Momma et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

TRAVIS - A Free Analyzer and Visualizer for Monte Carlo and Molecular Dynamics Trajectories

(2011) Martin Brehm et al.   Journal of Chemical Information and Modeling

Multiwfn: A multifunctional wavefunction analyzer

(2011) Tian Lu et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

The ORCA program system

(2011) Frank Neese   Wiley Interdisciplinary Reviews-Computational Molecular Science

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

PACKMOL: A package for building initial configurations for molecular dynamics simulations

(2009) L. Martínez et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Evaluation of Anion Influence on the Formation and Extraction Capacity of Ionic-Liquid-Based Aqueous Biphasic Systems

(2009) Sónia P. M. Ventura et al.   JOURNAL OF PHYSICAL CHEMISTRY B