화학공학소재연구정보센터
검색결과 : 4건
No. Article
1 Assessment of the accuracy of density functionals for prediction of relative energies and geometries of low-lying isomers of water hexamers
Dahlke EE, Olson RM, Leverentz HR, Truhlar DG
Journal of Physical Chemistry A, 112(17), 3976, 2008
2 Assessment of multicoefficient correlation methods, second-order moller-plesset perturbation theory, and density functional theory for H3O+(H2O)(n) (n=1-5) and OH-(H2O)(n) (n=1-4)
Dahlke EE, Orthmeyer MA, Truhlar DG
Journal of Physical Chemistry B, 112(8), 2372, 2008
3 Assessment of the pairwise additive approximation and evaluation of many-body terms for water clusters
Dahlke EE, Truhlar DG
Journal of Physical Chemistry B, 110(22), 10595, 2006
4 Improved density functionals for water
Dahlke EE, Truhlar DG
Journal of Physical Chemistry B, 109(33), 15677, 2005