Quantum chemistry modeling of structure, reactivity, catalytic activity and properties of zeolites.

Zeolites; embedding; QMPOT; ONIOM; density function theory; ab initio.

RNDr. SKLENÁK Štěpán Ph.D.

Room
121
Department
Department of Theoretical Chemistry
Extension
3607
E-mail
stepan.sklenakatjh-inst.cas.cz
Publications
http://www.lib.cas.cz/arl/bibliografie/asep/ufch-w/0222241
WWW
http://www.jh-inst.cas.cz/~sklenak/