화학공학소재연구정보센터
검색결과 : 2건
No. Article
1 Alternative schemes for the inclusion of a reaction-field correction into molecular dynamics simulations : Influence on the simulated energetic, structural, and dielectric properties of liquid water
Hunenberger PH, van Gunsteren WF
Journal of Chemical Physics, 108(15), 6117, 1998
2 Removal of pressure and free energy artifacts in charged periodic systems via net charge corrections to the Ewald potential
Bogusz S, Cheatham TE, Brooks BR
Journal of Chemical Physics, 108(17), 7070, 1998