Molecular similarity has always been an important conceptual tool of chemists, yet systematic approaches to molecular similarity problems have only recently been recognized as a major contributor to our understanding of molecular properties. Advanced approaches to molecular similarity analysis have their foundation in quantum similarity measures, and are important direct or indirect contributors to some of the predictive theoretical, computational, and also experimental methods of modern chemistry.
This volume provides a survey of the foundations and the contemporary mathematical and...

This book describes how the analysis of the trace gases in exhaled breath can be used for non-invasive clinical diagnosis of disease and for monitoring the effectiveness of therapy. This approach offers an important addition to the diagnostic techniques available to medicine, having the advantage that on-line breath analysis can provide information to the clinician immediately and thus facilitate rapid diagnosis and treatment. The book is a compilation of contributions to a conference held in Dornbirn, Austria, 23-26 September 2004 on various aspects of this new topic. Written by the foremost...

Das Buch vermittelt die Grundlagen der Spektroskopie und erarbeitet die erforderlichen theoretischen Hilfsmittel: Thermostatik, statistische Mechanik, Dichteoperatoren, Dynamik offener Quantensysteme, lineare Antworttheorie. In den Anwendungen finden sich u. a. die Blochschen Gleichungen und die Einsteinschen Ubergangswahrscheinlichkeiten. Die Herausgeber stutzen sich auf Vorlesungen von Hans Primas, Ergebnis einer jahrzehntelangen kritischen Auseinandersetzung mit den theoretischen Grundlagen. Sie waren bestrebt, den unverwechselbaren Originalton moglichst beizubehalten.

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At the end of the workshop on "New Theoretical Concepts in Physical Chemistry," one of the participants made an attempt to present a first impression of its achievements from his own personal standpoint. Appar ently his views reflected a general feeling, so that the organizers thought they would be suitable as a presentation of the proceedings for future readers. That is the background from which this foreword was born. The scope of the workshop is a very broad one. There are contribu tions from mathematics, physics, crystallography, chemistry and biology; the problems are approached either...

Molecular similarity has always been an important conceptual tool of chemists, yet systematic approaches to molecular similarity problems have only recently been recognized as a major contributor to our understanding of molecular properties. Advanced approaches to molecular similarity analysis have their foundation in quantum similarity measures, and are important direct or indirect contributors to some of the predictive theoretical, computational, and also experimental methods of modern chemistry.
This volume provides a survey of the foundations and the contemporary mathematical and...