화학공학소재연구정보센터
검색결과 : 4건
No. Article
1 Solvent Dependence of Conformational Distribution, Molecular Geometry, and Electronic Structure in Adenosine
Murugan NA, Hugosson HW
Journal of Physical Chemistry B, 113(4), 1012, 2009
2 Phosphodiester bond rupture in 5' and 3' cytosine monophosphate in aqueous environment and the effect of low-energy electron attachment: A Car-Parrinello QM/MM molecular dynamics study
Schyman P, Laaksonen A, Hugosson HW
Chemical Physics Letters, 462(4-6), 289, 2008
3 Solvent Dependence on Conformational Transition, Dipole Moment, and Molecular Geometry of 1,2-Dichloroethane: Insight from Car-Parrinello Molecular Dynamics Calculations
Murugan NA, Hugosson HW, Agren H
Journal of Physical Chemistry B, 112(47), 14673, 2008
4 Phase stability diagrams of transition metal carbides, a theoretical study
Hugosson HW, Jansson U, Johansson B, Eriksson O
Chemical Physics Letters, 333(6), 444, 2001