Sauer, Joachim

J. Sauer, Joachim, 1987, Molecular Structure of Orthosilicic Acid, Silanol, and HjSiOH AIH3 Complex Models of Surface Hydroxyls in Silica and Zeolites ,. Phys. Chem. 91, 2315-2319. 

CONTENTS Introduction, Thom H. Dunning, Jr. Electronic Structure Theory and Atomistic Computer Simulations of Materials, Richard P. Messmer, General Electric Corporate Research and Development and the University of Pennsylvania. Calculation of the Electronic Structure of Transition Metals in Ionic Crystals, Nicholas W. Winter, Livermore National Laboratory, David K. Temple, University of California, Victor Luana, Universidad de Oviedo and Russell M. Pitzer, The Ohio State University. Ab Initio Studies of Molecular Models of Zeolitic Catalysts, Joachim Sauer, Central Institute of Physical Chemistry, Germany. Ab Inito Methods in Geochemistry and Mineralogy, Anthony C. Hess, Battelle, Pacific Northwest Laboratories and Paul F. McMillan, Arizona State University. 

Ellen Reuber (Berlin), Joachim Sauer (Berlin), Manfred Swoboda (Berlin), Klaus Thiessen (Neuenhagen), Knut Urban (Jiilich), Harald Warrikhoff (Berlin), Burkhard Wende (Berlin) and Elmar Zeitler (Berlin). We are indebted to all of them for their assistance. 

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