Ab initio localisation of adsorption sites in guest/host systems: application to the system thionine in zeolite NaY

Autor: Müller, Marco, Bär, Hans-Jürgen, Kast, Stefan M, Brickmann, Jürgen *
Zdroj: In Chemical Physics Letters 1999 311(6):485-490
Databáze: ScienceDirect