Chemistry

Impressive advances have been made in the study of atomic structures, at both the experimental and theoretical levels.

Contemporary chemical reaction theory is the characterization of Potential Energy Hypersurfaces (PES).

Dieser Buchtitel ist Teil des Digitalisierungsprojekts Springer Book Archives mit Publikationen, die seit den Anfängen des Verlags von 1842 erschienen sind.

The book provides a general, broad approach to aspects of perturbation theory.

Jedes Jahr verursacht unsere bisherige Produktions- und Verbrauchsweise große Mengen an Hausmüll.

The present volume contains the text of the invited lectures presented at the Symposium on Many- Body Methods in Quantum Chemistry, held on the campus of Tel Aviv University in August 1988.

One of the most interesting fields of mathematically oriented chemical research is the so-called computer-assisted organic synthesis design.

Computer simulation studies in condensed matter physics form a rapidly developing field making sigificant contributions to important physical problems.

This book presents a computational scheme for calculating the electronic properties of crystalline systems at an ab-ini tio Hartree-Fock level of approximation.

This lecture note gives an analysis of electronic structure effects for a new class of molecular solids, i.

The purpose of these notes is to give some simple tools and pictures to physicists and ' chemists working on the many-body problem.

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.

This volume contains the proceedings of a meeting entitled 'Nonlinear Oscillations in Biology and Chemistry', which was held at the University of Utah May 9-11,1985.

Catalytic oxidation processes are bf central importance to a substantial part of large-scale chemical industry.

The bond diagrammatic representation of molecules is the foundation of MOVB theory.

A very wide range of catalytic conversions find industrial use in organic process chemistry.

A cursory examination of the current scientific and technological literature is sufficient to show the enormous interest in the possibility of producing liquid fuels from coal.

This book provides qualitative molecular orbital and valence-bond descriptions of the electronic structures for electron-rich molecules, with strong emphasis given to the valence-bond approach.

The aIm of the present article is to give a critical exposition of the theory of the symmetry properties of rigid and nonrigid molecules.

The lattice dynamics of molecular crystals has undergone an enor- mous progress in these last twenty years or so.

The aim of these notes is to offer a modern picture of the pertur- bative approach to the calculation of intermolecular forces.

Analytical chemistry of the recent years is strongly influenced by automation.

A wide range of important physical and chemical phenomena may be named by the same title: Rate processes in condensed media.

1.

Since the discovery of quantum mechanics,more than fifty years ago,the theory of chemical reactivity has taken the first steps of its development.

Until recently quantum chemical ab initio calculations were re- stricted to atoms and very small molecules.

The permutation group has gained prominence in the fundamental research in diverse areas of physics and chemistry.

I I These Lecture Notes are intended as an introduction to the theoretical formulation and computational aspects of the molecular energy transfer processes which take place in an increasingly sophisticated range of molecular scattering experiments.

Molecules in liquid and solid media are exposed to strong inter- action forces from the surrounding medium.

Traditionally, when one deals with crystals, the first property to be presented is the periodicity of the lattice, and all methods of study are based on this characteristic, which is considered essential.

Introduction 1 1.

Recently, the molecular structures of a relatively large number of sulphone compounds have been elucidated in the vapour phase by electron diffraction and microwave spectroscopy.

We live in a molecular world, almost closed shell in nature, and for this reason Chemistry has been a science dealing with closed shell mol- ecules.

"e;The second step is to determine constitution, Le.

These notes summarize in part lectures held regularly at the University of Zurich and, in the Summer of 1974, at the Semi- nario Latinoamericano de QUimica Cuantica in Mexico.