P. Strodel

A revised MRCI-algorithm. I. Efficient combination of spin adaptation with individual configuration selection coupled to an effective valence-shell Hamiltonian

P. Tavan, P. Strodel, 2002 .

Long-distance proton transfer with a break in the bacteriorhodopsin active site.

Jeremy C. Smith, S. Suhai, M. Elstner, 2009, Journal of the American Chemical Society.

A revised MRCI-algorithm coupled to an effective valence-shell Hamiltonian. II. Application to the valence excitations of butadiene

P. Tavan, P. Strodel, 2002 .

Acidic properties of [Al], [Ga] and [Fe] isomorphously substituted zeolites. Density functional model cluster study of the complexes with a probe CO molecule

Konstantin M. Neyman, N. Rösch, H. Knözinger, 1995 .

N2 and CO molecules as probes of zeolite acidity: an infrared spectroscopy and density functional investigation

Konstantin M. Neyman, N. Rösch, S. Ruzankin, 1995 .

Color tuning in rhodopsins: the mechanism for the spectral shift between bacteriorhodopsin and sensory rhodopsin II.

Klaus Schulten, Thomas Frauenheim, Walter Thiel, 2006, Journal of the American Chemical Society.

Calculating absorption shifts for retinal proteins: computational challenges.

M Elstner, F. Neese, W. Thiel, 2005, The journal of physical chemistry. B.

Ion permeation in the NanC porin from Escherichia coli: free energy calculations along pathways identified by coarse-grain simulations.

P. Carloni, E. Ippoliti, B. Eisenberg, 2013, The journal of physical chemistry. B.