Evert Jan Baerends

Is [FeO](2+) the active center also in iron containing zeolites? A density functional theory study of methane hydroxylation catalysis by Fe-ZSM-5 zeolite.

A. Rosa, G. Ricciardi, Evert Jan Baerends, 2010, Inorganic chemistry.

Importance of vibronic effects on the circular dichroism spectrum of dimethyloxirane.

Evert Jan Baerends, J. Neugebauer, J. Autschbach, 2005, The Journal of chemical physics.

Vibronic structure of the permanganate absorption spectrum from time-dependent density functional calculations.

Evert Jan Baerends, J. Neugebauer, M. Nooijen, 2005, The journal of physical chemistry. A.

Oxidative properties of FeO2+: electronic structure and solvation effects.

Evert Jan Baerends, M. J. Louwerse, 2007, Physical chemistry chemical physics : PCCP.