Fundamental Principles of Molecular Modeling (Hardcover, 1996)

Fundamentals of molecular modelling, Jan C.A. Boeyens .- Molecular shape, B.T. Sutcliffe .- New tests of models in chemical binding - Extra-mechanical effects and molecular properties, J.F. Ogilvie .- Can quantum mechanics account for chemical structures?, A. Amann .- Environmental factors in molecular modelling, Jan C.A. Boeyens .- Knowledge acquisition from crystallographic databases: Applications in molecular modelling, crystal engineering and structural chemistry, F.H. Allen .- Hydrogen bonding models: Their relevance to molecular modelling, P. Gilli, V. Ferretti, and G. Gilli .- Molecular electrostatic properties from X-Ray diffraction data, T. Koritsanszky .- Modeling of structural and spectroscopic properties of transition metal compounds, P. Coomba .- Conformational analysis of long chain seco-acids used in Woodward's total synthesis of erythromycin A - Conformational space search as the basis of molecular modeling, E. Osawa, E. Deretey, and H. Goto .- Packing Molecules and Ions into Crystals, L. Glasser .- On the isostructurality of supramolecules: Packing similarities governed by molecular complementarity, A. Kalman .- The phenomenon of conglomerate crystallization. Part 44. Counterion control of crystallization pathway selection, I. Bernal, X. Xia, and F. Somoza .