Bøger af Adalbert Kerber

More than 20 years of experience in molecular structure generation, from conceptualization through to applications Innovative, interdisciplinary text demonstrating example queries with software packages such as MOLGEN-online Detailed explanations on establishing QSPRs and QSARs as well as structure elucidation using mass spectrometry and structure generation. Aims and Scope This work provides an introduction to mathematical modeling of molecules and the resulting applications (structure generation, structure elucidation, QSAR/QSPR etc.). Most chemists have experimented with some software that represents molecules in an electronic form, and such models and applications are of increasing interest in diverse and growing fields such as drug discovery, environmental science and metabolomics. Furthermore, structure generation remains the only way to systematically create molecules that are not (yet) present in a database. This book starts with the mathematical theory behind representing molecules, explaining chemical concepts in mathematical terms and providing exercises that can be completed online. The later chapters cover applications of the theory, with detailed explanations on QSPR and QSAR investigations and finally structure elucidation combining mass spectrometry and structure generation. This book is aimed in particular at the users of structure generation methods and corresponding techniques, but also for those interested in teaching and learning mathematical chemistry, and for software designers in chemoinformatics.

Written by one of the top experts in the fields of combinatorics and representation theory, this book distinguishes itself from the existing literature by its applications-oriented point of view. Recent progress in this field, in particular in design and coding theory, is described.

This text offers an introduction to error-correcting linear codes. The book differs from other standard texts in its emphasis on the classification of codes by means of isometry classes. The book is based on the successful German edition.

This volume deals with the Cauchy or initial value problem for linear differential equations. It treats in detail some of the applications of linear space methods to partial differential equations, especially the equations of mathematical physics such as the Maxwell, Schrodinger and Dirac equations. Background material presented in the first chapter makes the book accessible to mathematicians and physicists who are not specialists in this area as well as to graduate students.