Fluid-solid equilibrium of carbon dioxide as obtained from computer simulations of several popular potential models: The role of the quadrupole

Density of States Partitioning Method for Calculating the Free Energy of Solids

(2012) Hainam Do et al.   Journal of Chemical Theory and Computation

An Examination of the Ternary Methane + Carbon Dioxide + Water Phase Diagram using the SAFT-VR Approach

(2011) J. M. Míguez et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Solid−Solid and Solid−Fluid Equilibria of the Most Popular Models of Methanol Obtained by Computer Simulation

(2011) D. Gonzalez-Salgado et al.   JOURNAL OF PHYSICAL CHEMISTRY B

SAFT-γ Force Field for the Simulation of Molecular Fluids. 1. A Single-Site Coarse Grained Model of Carbon Dioxide

(2011) Carlos Avendaño et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Physics and chemistry of water and ice

(2011) Carlos Vega et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

An overview of CO2 capture technologies

(2010) Niall MacDowell et al.   Energy & Environmental Science

Modeling ionic liquids and the solubility of gases in them: Recent advances and perspectives

(2010) Lourdes F. Vega et al.   FLUID PHASE EQUILIBRIA

Melting point and phase diagram of methanol as obtained from computer simulations of the OPLS model

(2010) D. Gonzalez Salgado et al.   JOURNAL OF CHEMICAL PHYSICS

Effect of potential truncations and shifts on the solid-liquid phase coexistence of Lennard-Jones fluids

(2010) Alauddin Ahmed et al.   JOURNAL OF CHEMICAL PHYSICS

Interfacial Properties of Water/CO2: A Comprehensive Description through a Gradient Theory−SAFT-VR Mie Approach

(2010) Thomas Lafitte et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Computer simulations of critical phenomena and phase behaviour of fluids

(2010) Kurt Binder   MOLECULAR PHYSICS

Solid-liquid equilibria and triple points of n-6 Lennard-Jones fluids

(2009) Alauddin Ahmed et al.   JOURNAL OF CHEMICAL PHYSICS

Solid-liquid phase equilibria of the Gaussian core model fluid

(2009) Peter Mausbach et al.   JOURNAL OF CHEMICAL PHYSICS

Bond Angle Distributions of Carbon Dioxide in the Gas, Supercritical, and Solid Phases†

(2009) Kelly E. Anderson et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Structure and pair correlations of a simple coarse grained model for supercritical carbon dioxide

(2009) B.M. Mognetti et al.   MOLECULAR PHYSICS

Phase diagram of the Weeks-Chandler-Andersen potential from very low to high temperatures and pressures

(2009) Alauddin Ahmed et al.   PHYSICAL REVIEW E

Structure of Carbon Dioxide Phase IV: Breakdown of the Intermediate Bonding State Scenario

(2009) Frédéric Datchi et al.   PHYSICAL REVIEW LETTERS

High-pressure polymeric phases of carbon dioxide

(2009) J. Sun et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Computing the free energy of molecular solids by the Einstein molecule approach: Ices XIII and XIV, hard-dumbbells and a patchy model of proteins

(2008) E. G. Noya et al.   JOURNAL OF CHEMICAL PHYSICS

Efficient prediction of thermodynamic properties of quadrupolar fluids from simulation of a coarse-grained model: The case of carbon dioxide

(2008) B. M. Mognetti et al.   JOURNAL OF CHEMICAL PHYSICS

Determination of phase diagrams via computer simulation: methodology and applications to water, electrolytes and proteins

(2008) C Vega et al.   JOURNAL OF PHYSICS-CONDENSED MATTER