S. Köstlmeier

发表

On the agostic interaction in lanthanide phenylene complexes: An INDO study of [(Cp 2*M)2C6H4] (M = Sc, Lu) employing an energy‐partitioning analysis

M. Kotzian, V. Jahns, S. Köstlmeier, 1992 .

The adsorption of CO on {Ni}/{W(110) }: a joint experimental and theoretical study

N. Rösch, G. Pacchioni, W. Wurth, 1995 .

Olefin Epoxidation by Methyltrioxorhenium: A Density Functional Study on Energetics and Mechanisms.

N. Rösch, S. Antonczak, P. Gisdakis, 1998, Angewandte Chemie.

Prediction of Alternative Structures of the Molybdenum Site in the Xanthine Oxidase-Related Aldehyde Oxido Reductase

Konstantin M. Neyman, R. Huber, N. Rösch, 1997 .

STRUCTURE AND PROPERTIES OF DIMER, TRIMER AND TETRAMER AGGREGATES OF METHYLTRIOXORHENIUM(MTO) : AN AB INITIO STUDY

N. Rösch, G. Pacchioni, W. Herrmann, 1996 .

An intermediate neglect of differential overlap technique for actinide compounds

N. Rösch, M. Zerner, M. Kotzian, 1994 .

Density functional study of the "titanium effect" at metal/ceramic interfaces.

C. Elsässer, S. Köstlmeier, 2000 .

Ab initio calculation of near-edge structures in electron-energy-loss spectra for metal-oxide crystals

C. Elsässer, S. Köstlmeier, 1999 .

Success and limits of common final-state approximations.

S. Köstlmeier, 2001, Ultramicroscopy.

Density functional study of the ∑3(111)[1¯1 0] symmetrical tilt grain boundary in SrTiO3

C. Elsässer, S. Köstlmeier, S. Hutt, 2001 .

Atomistic and electronic structure of Al/MgAl2O4 and Ag/MgAl2O4 interfaces

M. Finnis, C. Elsässer, F. Ernst, 2001 .

Ab-Initio Investigation of Metal-Ceramic Bonding: M(001)/MgAl2O4(001), M = Al, Ag

C. Elsässer, S. Köstlmeier, 2000 .

A Density Functional Study of Interactions at the Metal–Ceramic Interfaces Al/MgAl2O4 and Ag/MgAl2O4

M. Finnis, B. Meyer, C. Elsässer, 1998 .

Ab Initio Study of Electronic and Geometric Structures of Metal/Ceramic Heterophase Boundaries

M. Finnis, B. Meyer, C. Elsässer, 1997 .

Validity of the dipole-selection rule for the Al-L2,3 edge of alpha-Al2O3 under channeling conditions.

T. Gemming, M. Rühle, S. Köstlmeier, 2001, Ultramicroscopy.

Density-functional modelling of core-hole effects in electron energy-loss near-edge spectra.

C. Elsässer, S. Köstlmeier, 2001, Ultramicroscopy.

Quantitative atomic-scale analysis of interface structures: transmission electron microscopy and local density functional theory.

T. Gemming, C. Elsässer, A. Marinopoulos, 2001, Physical review letters.

Microscopic structure and bonding at the Pd/SrTiO3 (001) Interface an ab-initio local-density-functional study

C. Elsässer, T. Ochs, S. Köstlmeier, 2001 .

Microscopic Structure and Energetics of the Pd/SrTio 3 (001) Interface

C. Elsässer, T. Ochs, S. Köstlmeier, 2000 .

Ab initio analysis of electron energy loss spectra for complex oxides

B. Meyer, C. Elsässer, S. Köstlmeier, 1999 .

Lewis Acidity and Reactivity of Transition Metal Oxo Complexes. A Comparative Density Functional Study of CH3ReO3, CH3TcO3, and Their Base Adducts

N. Rösch, V. Nasluzov, W. Herrmann, 1997 .

Density Functional Study on the Electronic Structure of Trioxorhenium Organyls

N. Rösch, H. Bock, S. Köstlmeier, 1996 .