Potential Model Development Using Quantum Chemical Information for Molecular Simulation of Adsorption Equilibria of Water−Methanol (Ethanol) Mixtures in Zeolite NaA-4
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Media type:
E-Article
Title:
Potential Model Development Using Quantum Chemical Information for Molecular Simulation of Adsorption Equilibria of Water−Methanol (Ethanol) Mixtures in Zeolite NaA-4
Contributor:
Csányi, Éva;
Kristóf, Tamás;
Lendvay, György