화학공학소재연구정보센터
검색결과 : 4건
No. Article
1 Molecular-Dynamics Potential of Mean Force Calculations - A Study of the Toluene-Ammonium Pi-Cation Interactions
Chipot C, Maigret B, Pearlman DA, Kollman PA
Journal of the American Chemical Society, 118(12), 2998, 1996
2 Benzene Dimer - A Good Model for Pi-Pi Interactions in Proteins - A Comparison Between the Benzene and the Toluene Dimers in the CAS Phase and in an Aqueous-Solution
Chipot C, Jaffe R, Maigret B, Pearlman DA, Kollman PA
Journal of the American Chemical Society, 118(45), 11217, 1996
3 Walking on the Free-Energy Hypersurface of the 18-Crown-6 Ion System Using Free-Energy Derivatives
Cieplak P, Pearlman DA, Kollman PA
Journal of Chemical Physics, 101(1), 627, 1994
4 A Comparison of Alternative Approaches to Free-Energy Calculations
Pearlman DA
Journal of Physical Chemistry, 98(5), 1487, 1994