Journal of Chemical Physics, Vol.102, No.21, 8656-8661, 1995
Elastic and Structural-Properties of Zeolites - Sodalite and Dehydrated Zeolite-A
Keywords:MOLECULAR-DYNAMICS;ABINITIO CALCULATIONS;CRYSTAL-STRUCTURE;FORCE-FIELDS;ALPHA-QUARTZ;ALUMINOPHOSPHATES;REDETERMINATION;SIMULATION;SILICAS