Fitting properties from density functional theory based molecular dynamics simulations to parameterize a rigid water force field.

Fitting properties from density functional theory based molecular dynamics simulations to parameterize a rigid water force field / Jonàs, S., Elvira, G., Jordi, M., Daniel, S., Masia, M.. - In: JOURNAL OF CHEMICAL PHYSICS ONLINE. - ISSN 1089-7690. - 136:(2012), pp. 054103-1-054103-10. [10.1063/1.3679402]