화학공학소재연구정보센터
검색결과 : 9건
No. Article
1 Accurate simulation of highly asymmetric electrolytes with charge asymmetry 20 : 1 and 20 : 2
Lobaskin V, Linse P
Journal of Chemical Physics, 109(9), 3530, 1998
2 Coulomb Energy of Polar Crystals
Vaneijck BP, Kroon J
Journal of Physical Chemistry B, 101(6), 1096, 1997
3 Simulations at Conducting Interfaces - Boundary-Conditions for Electrodes and Electrolytes
Perram JW, Ratner MA
Journal of Chemical Physics, 104(13), 5174, 1996
4 Size Consistency and Size Extensivity of Linear-Response Properties Using the Perturbed Electron Propagator
Deleuze M, Pickup BT
Journal of Chemical Physics, 102(22), 8967, 1995
5 On the Size-Dependence of the Static Self-Energy in Propagator Calculations
Deleuze M, Scheller MK, Cederbaum LS
Journal of Chemical Physics, 103(9), 3578, 1995
6 On Finite-Size Effects in Computer-Simulations Using the Ewald Potential
Figueirido F, Delbuono GS, Levy RM
Journal of Chemical Physics, 103(14), 6133, 1995
7 A Smooth Particle Mesh Ewald Method
Essmann U, Perera L, Berkowitz ML, Darden T, Lee H, Pedersen LG
Journal of Chemical Physics, 103(19), 8577, 1995
8 A New Formulation of the Hartree-Fock-Roothaan Method for Electronic-Structure Calculations on Crystals
Hammesschiffer S, Andersen HC
Journal of Chemical Physics, 101(1), 375, 1994
9 How the Unit-Cell Surface-Charge Distribution Affects the Energetics of Ion-Solvent Interactions in Simulations
Roberts JE, Schnitker J
Journal of Chemical Physics, 101(6), 5024, 1994