Does High Pressure Induce Structural Reorganization in Linear Alcohols? A Computational Answer

Measurements and correlations of density and viscosity for short chain (C1–C3) n -alcohol–water mixtures in the temperature range from 350.7 K to 476.2 K at pressures up to 40 MPa

(2016) Takumi Ono et al.   FLUID PHASE EQUILIBRIA

Pressure-induced mesoscopic disorder in protic ionic liquids: first computational study

(2016) A. Mariani et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

The General AMBER Force Field (GAFF) Can Accurately Predict Thermodynamic and Transport Properties of Many Ionic Liquids

(2015) K. G. Sprenger et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Pressure-responsive mesoscopic structures in room temperature ionic liquids

(2015) Olga Russina et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Low-temperature and high-pressure polymorphs of isopropyl alcohol

(2014) Joe Ridout et al.   CRYSTENGCOMM

Liquid 1-propanol studied by neutron scattering, near-infrared, and dielectric spectroscopy

(2014) P. Sillrén et al.   JOURNAL OF CHEMICAL PHYSICS

Dynamical and structural properties of monohydroxy alcohols exhibiting a Debye process

(2014) P. Wieth et al.   JOURNAL OF CHEMICAL PHYSICS

Structure and dynamics of monohydroxy alcohols—Milestones towards their microscopic understanding, 100 years after Debye

(2014) Roland Böhmer et al.   PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS

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

(2013) Sander Pronk et al.   BIOINFORMATICS

The temperature dependent structure of liquid 1-propanol as studied by neutron diffraction and EPSR simulations

(2013) Per Sillrén et al.   JOURNAL OF CHEMICAL PHYSICS

How do high pressures change the Debye process of 4-methyl-3-heptanol?

(2013) S. Pawlus et al.   JOURNAL OF CHEMICAL PHYSICS

The self-diffusion and hydrogen bond interaction in neat liquid alkanols: a molecular dynamic simulation study

(2013) Huajie Feng et al.   MOLECULAR SIMULATION

Effect of Compression on the Relationship between Viscosity and Dielectric Relaxation Time in Hydrogen-Bonded Primary Alcohols

(2013) S. Pawlus et al.   PHYSICAL REVIEW LETTERS

A statistical model of hydrogen bond networks in liquid alcohols

(2012) Per Sillrén et al.   JOURNAL OF CHEMICAL PHYSICS

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

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

Hydrogen Bonding and Molecular Aggregates in Liquid Methanol, Ethanol, and 1-Propanol

(2011) Aleksander Vrhovšek et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Insights on the origin of the Debye process in monoalcohols from dielectric spectroscopy under extreme pressure conditions

(2010) D. Fragiadakis et al.   JOURNAL OF CHEMICAL PHYSICS

Structure of Liquid Linear Alcohols

(2010) J. Lehtola et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Molecular Dynamics Changes Induced by Hydrostatic Pressure in a Supercooled Primary Alcohol

(2010) Sebastian Pawlus et al.   Journal of Physical Chemistry Letters

An approach towards understanding the structure of complex molecular systems: the case of lower aliphatic alcohols

(2010) Aleksander Vrhovšek et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Molecular self-assembly in a model amphiphile system

(2010) Lorna Dougan et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Molecular conformation and liquid structure of 2-propanol through neutron diffraction

(2010) A. Sahoo et al.   PRAMANA-JOURNAL OF PHYSICS

An energy dispersive x-ray scattering and molecular dynamics study of liquid dimethyl carbonate

(2009) Lorenzo Gontrani 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