화학공학소재연구정보센터
검색결과 : 8건
No. Article
1 Insights from abinitio molecular dynamics simulations for a multicomponent oxide glass
Ohkubo T, Tsuchida E, Deguchi K, Ohki S, Shimizu T, Otomo T, Iwadate Y
Journal of the American Ceramic Society, 101(3), 1122, 2018
2 Models for Statistical Decomposition of Metal-Clusters - Vibrational Frequency-Distributions
Shvartsburg AA, Ervin KM, Frederick JH
Journal of Chemical Physics, 104(21), 8458, 1996
3 Density-Functional Studies of Aluminum Phosphide Cluster Structures
Tomasulo A, Ramakrishna MV
Journal of Chemical Physics, 105(23), 10449, 1996
4 Quadrupole Polarization in Simulations of Ionic Systems - Application to AgCl
Wilson M, Madden PA, Costacabral BJ
Journal of Physical Chemistry, 100(4), 1227, 1996
5 Integrating the Car-Parrinello Equations .3. Techniques for Ultrasoft Pseudopotentials
Hutter J, Tuckerman M, Parrinello M
Journal of Chemical Physics, 102(2), 859, 1995
6 Quantum Dynamics Simulation with Approximate Eigenstates
Murphrey TH, Rossky PJ
Journal of Chemical Physics, 103(15), 6665, 1995
7 Cluster Formation in Sodium-Doped Zeolite-Y - Ab-Initio Simulation Study
Ursenbach CP, Madden PA, Stich I, Payne MC
Journal of Physical Chemistry, 99(17), 6697, 1995
8 Point-Defects in Crystalline Silicon, Their Migration and Their Relation to the Amorphous Phase
Maroudas D, Pantelides ST
Chemical Engineering Science, 49(17), 3001, 1994