These notes on the use of one particular form of the time-dependent rate constant to describe the reaction patterns in condensed media have been put together primarily to encourage chemists to try and accept this new way of experimental data treatment. A number of applications is shown and interpretative aspects are discussed. Emphasized are the problems that need to be currently solved. Some of them are also of current interest in condensed phase physics from which the chemical kinetics benefits a great deal. It was inevitable that the choice of subject matter from both rapidly expanding...

The project that finally led to this book, was originally started with Dr. Jean-Paul Desclaux. It is a pleasure to thank hirn for a fruitful collaboration stretching over more than a decade. While accepting the responsibility for any remaining errors and omissions, I wish to acknowledge in particular the comments by Teijo Aberg, Viktor Flambaum, Burkhard Fricke, Franz Mark and Arne Rosen. The Bibliography was compiled using a Fortran program, written for the DEC 20 at the University of Turku by Matti Hotokka, and adap- ted to the University of Helsinki Burroughs 7800 by Dage Sundholm. Harriet...

The purpose of these notes is to give some simple tools and pictures to physicists and ' chemists working on the many-body problem. Abstract thinking and seeing have much in common - we say "I see" meaning "I understand" , for example. Most of us prefer to have a picture of an abstract object. The remarkable popularity of the Feynman diagrams, and other diagrammatic approaches to many-body problem derived thereof, may be partially due to this preference. Yet, paradoxically, the concept of a linear space, as fundamental to quantum physics as it is, has never been cast in a graphical form. We...

This lecture note gives an analysis of electronic structure effects for a new class of molecular solids, i. e. one-dimensional organometal- lic systems formed by transition-met. l atoms that are embedded in a matrix of macrocyclic organic ligands. These systems as well as orga- nic metals have focused considerable interest due to the potential formation of high-mobility charge carriers. For the present author it is difficult to participate in this restriction on a single physical property (i. e. high electronic conductivities, technical applications, etc. ). The lecture note is hopefully a...

This text is an attempt to outline the basic facts concerning Kekul structures in benzenoid hydrocarbons: their history, applica- tions and especially enumeration. We further pOint out the numerous and often quite remarkable connections between this topic and various parts of combinatorics and discrete mathematics. Our book is primarily aimed toward organic and theoretical chemists interested in the enume- ration of Kekule structures of conjugated hydrocarbons as well as to scientists working in the field of mathematical and computational chemistry. The book may be of some relevance also to...

From December 1985 through March 1986 the text of this book formed the basis of an in-hours course taught by the author at Harry Diamond Laborato- ries. Considerable assistance in revising and organizing the first draft was given by John Bruno. The original draft of these notes was based on a collection of lectures delivered at the Universidade Federal de Pernambuco, Recife, Brazil, between 2 November 1981 and 2 December 1981. The visit to Recife was a response to an invi tation of Professor Gilberto F. de Sa of the Physics Department. In the preparation of these notes I made many requests of...

One of the most interesting fields of mathematically oriented chemical research is the so-called computer-assisted organic synthesis design. These lecture notes elaborate the mathematical model of organic chemistry, which offers formal concepts for unambiguous description of computer algorithms for organic synthesis design including retrosynthesis and reaction mechanisms. All definitions and theorems are supplemented by many illustrative examples. The model is closely related to the course of thinking of organic chemists. These notes will be useful for all theoretically oriented organic...

The presence of freely moving charges gives peculiar properties to electrolyte solutions, such as electric conductance, charge transfer, and junction potentials in electrochemical systems. These charges play a dominant role in transport processes, by contrast with classical equilibrium thermodynamics which considers the electrically neutral electrolyte compounds. The present status of transport theory does not permit a first prin- ciples analys1s of all transport phenomena with a detailed model of the relevant interactions. Host of the models are still unsufficient for real systems of...

"Quantum Chemistry" is the course material of a European Summer School in Quantum Chemistry, organized by Bj-rn O. Roos. It consists of lectures by outstanding scientists who participate in the education of students and young scientists. The book has a wider appeal as additional reading for University courses. Contents: P.-A. Malmquist: Mathematical Tools in Quantum Chemistry J. Olsen: The Method of Second Quantization P.R. Taylor: Molecular Symmetry and Quantum Chemistry B.O. Roos: The Multiconfigurational (MC) Self-Consistent Field (SCF) Theory P.E.M. Siegbahn: The Configuration Interaction...