Molecular model for carbon dioxide optimized to vapor-liquid equilibria

A Fully Flexible Potential Model for Carbon Dioxide

(2009) Aimei ZHU et al.   CHINESE JOURNAL OF CHEMICAL ENGINEERING

On the application of force fields for predicting a wide variety of properties: Ethylene oxide as an example

(2008) Bernhard Eckl et al.   FLUID PHASE EQUILIBRIA

Comment on “An optimized potential for carbon dioxide” [J. Chem. Phys. 122, 214507 (2005)]

(2008) Thorsten Merker et al.   JOURNAL OF CHEMICAL PHYSICS

Response to “Comment on ‘An optimized potential for carbon dioxide’ ” [J. Chem. Phys. 129, 087101 (2008)]

(2008) Zhigang Zhang et al.   JOURNAL OF CHEMICAL PHYSICS

GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

(2008) Berk Hess et al.   Journal of Chemical Theory and Computation

Prediction of Transport Properties by Molecular Simulation: Methanol and Ethanol and Their Mixture

(2008) Gabriela Guevara-Carrion et al.   JOURNAL OF PHYSICAL CHEMISTRY B

An optimised molecular model for ammonia

(2008) Bernhard Eckl et al.   MOLECULAR PHYSICS