화학공학소재연구정보센터
검색결과 : 14건
No. Article
1 The role of hydrogen bonding in nanocolloidal amorphous silica particles in electrolyte solutions
Jenkins S, Kirk SR, Persson M, Carlen J, Abbas Z
Journal of Colloid and Interface Science, 339(2), 351, 2009
2 Structure, energetics, and dynamics of the nucleic acid base pairs: Nonempirical ab initio calculations
Hobza P, Sponer J
Chemical Reviews, 99(11), 3247, 1999
3 Ewald artifacts in computer simulations of ionic solvation and ion-ion interaction: A continuum electrostatics study
Hunenberger PH, McCammon JA
Journal of Chemical Physics, 110(4), 1856, 1999
4 Strongly charged, flexible polyelectrolytes in poor solvents: Molecular dynamics simulations
Micka U, Holm C, Kremer K
Langmuir, 15(12), 4033, 1999
5 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
6 Pressure calculation in polar and charged systems using Ewald summation : Results for the extended simple point charge model of water
Hummer G, Gronbech-Jensen N, Neumann M
Journal of Chemical Physics, 109(7), 2791, 1998
7 Ionic charging free energies: Spherical versus periodic boundary conditions
Darden T, Pearlman D, Pedersen LG
Journal of Chemical Physics, 109(24), 10921, 1998
8 Molecular dynamics simulations in aqueous solution of triple helices containing d(G center dot C center dot C) trios
Soliva R, Laughton CA, Luque FJ, Orozco M
Journal of the American Chemical Society, 120(44), 11226, 1998
9 Large-Scale Simulation of Macromolecules in Solution - Combining the Periodic Fast Multipole Method with Multiple Time-Step Integrators
Figueirido F, Levy RM, Zhou RH, Berne BJ
Journal of Chemical Physics, 106(23), 9835, 1997
10 Simulation of Sodium Dodecyl-Sulfate at the Water-Vapor and Water-Carbon Tetrachloride Interfaces at Low Surface Coverage
Schweighofer KJ, Essmann U, Berkowitz M
Journal of Physical Chemistry B, 101(19), 3793, 1997