Water properties from first principles: simulations by a general-purpose quantum mechanical polarizable force field.
Donchev AG, Galkin NG, Illarionov AA, Khoruzhii OV, Olevanov MA, Ozrin VD, Subbotin MV, Tarasov VI.
Proc Natl Acad Sci U S A. 2006 Jun 6; 103(23):8613-7. Epub 2006 May 24.
[Proc Natl Acad Sci U S A. 2006]