Bücher der Reihe Lecture Notes in Chemistry

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This book describes the photocatalytic mechanism, factors affecting photocatalytic activity, design and preparation of different kinds of nanostructured photocatalysts, and their applications in the environmental and energy fields.

This book covers the advances in the studies of hydrogen-bonding-driven supramolecular systems  made over the past decade. It is divided into four parts, with the first introducing the basics of hydrogen bonding and important hydrogen bonding patterns in solution as well as in the solid state. The second part covers molecular recognition and supramolecular structures driven by hydrogen bonding. The third part introduces the formation of hollow and giant macrocycles directed by hydrogen bonding, while the last part summarizes hydrogen bonded supramolecular polymers.This book is designed to bring together in a single volume the many important aspects of hydrogen bonding supramolecular chemistry and will be a valuable resource for graduates and researchers working in supramolecular and related sciences.Zhan-Ting Li, PhD, is a Professor of Organic Chemistry at the Department of Chemistry, Fudan University, China.Li-Zhu Wu, PhD, is a Professor of Organic Chemistry at the Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, China.

This book presents a computational scheme for calculating the electronic properties of crystalline systems at an ab-ini tio Hartree-Fock level of approximation. The third chapter describes a number of applications, in order to clarify the possible use of this kind of programs in solid state physics and chemistry.

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

A number of general-purpose, reasonably accurate and well-tested ab-initio codes for crystals are discussed in this book. The book addresses particularly readers with a general knowledge in quantum chemistry and intends to give a deeper insight into the special algorithms and computational techniques in ab-initio computer codes for crystals.

In addition to this we were delighted to see that the topics to*which we have been devoted in the last few years nowadays form a rapidly expanding branch of mathematical chemistry which attracts the attention of a large number of researchers (both chemists and mathematicians).

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. But how to visualize the space of all many-particle states ?

Here, the authors introduce the concept of molecular quantum similarity, developed in their laboratory, in a didactic form. The basis of the concept combines quantum theoretical calculations with molecular structure and properties even for large molecules.

Methods in Reaction Dynamics is a collection of lectures given at the 1999 Mariapfarr Workshop in Theoretical Chemistry. The volume provides in-depth discussions of selected topics in Theoretical Chemistry, such as quantum methods in theoretical and computational reaction dynamics and kinetics;

This Hamiltonian is useful for molecules containing massive nuclei and moreover, has been extremely useful in interpreting the rovibrational spectra of small molecules.

The chemist or chemical engineer, or anyone working with complex electrolyte solutions in applied research wants a general representa tion of the transport phenomena which does not reduce the natural complexity of the multicomponent systems.

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. The Symposium was held under the auspices of Tel Aviv University, Raymond and Beverly Sackler Faculty of Exact Sciences, School of Chemistry.

This book provides an introduction to many-body methods for applications in quantum chemistry. Offering an introduction to many-body methods, this book appeals to advanced students interested in an alternative approach to the many-electron problem in molecules, and is suitable for any courses dealing with computational methods in quantum chemistry.

This book explains the usage and application of Molecular Quantum Dynamics, the methodology where both the electrons and the nuclei in a molecule are treated with quantum mechanical calculations.

This book explains the use of nanocrystalline semiconductors in the harvesting of energy from solar light.

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The present monograph is a continuation of Cyvin SJ, Brunvoll J and Cyvin (1991c), a reference to be found in Bibliography.

Protein engineering endeavors to design new peptides and proteins or to change the structural and/or functional characteristics of existing ones for specific purposes, opening the way for the development of new drugs.

Volumes I-III of Relativistic Theory of Atoms and Molecules constitute the only available bibliography on related calculations. The volume gives the user a comprehensive bibliography on relativistic atomic and molecular calculations, including studies on the Dirac equation and related solid-state work.

This volume contains the lectures given at the theoretical chemistry workshop in 1996 in Mariapfarr, Austria. Topics addressed include: hypersurfaces and coordinate systems; interpolation and fitting; empirical force fields; and the Born-Oppenheimer expansion.

The linear Schroedinger equation is central to Quantum Chemistry. The Riccati equation is used to study the one-dimensional Schroedinger equation. The authors develop the Schroedinger-Riccati equation as an approach to determine solutions of the time-independent, linear Schroedinger equation.

The amazing growth of computational resources has made possible the modeling of complex chemical processes. This book reviews some of the most advanced theoretical approaches in the field of molecular reaction dynamics in order to cope as rigorously as possible with the complexity of real systems.

The first volume of Lecture Notes in Quantum Chemistry (Lecture Notes in Chemistry 58, Springer Verlag, Berlin 1992) contained a compilation of selected lectures given at the two first European Summer Schools in Quantum Chemistry (ESQC), held in southern Sweden in August 1989 and 1991, respectively.

On the occasion of the fourth International Conference on Industrial and Applied Mathematics!, we decided to organize a sequence of 4 minisymposia devoted to the mathematical aspects and the numerical aspects of Quantum Chemistry.

The authors demonstrate that the essential information about order in, and energy levels of physical systems is encapsulated in the second order reduced density matrix.

This book provides an introduction to many-body methods for applications in quantum chemistry. Offering an introduction to many-body methods, this book appeals to advanced students interested in an alternative approach to the many-electron problem in molecules, and is suitable for any courses dealing with computational methods in quantum chemistry.

"Quantum Chemistry" is the course material of a EuropeanSummer School in Quantum Chemistry, organized by Bj|rn O. It consists of lectures by outstanding scientists whoparticipate in the education of students and youngscientists. Malmquist: Mathematical Tools in Quantum ChemistryJ. Taylor: Molecular Symmetry and Quantum ChemistryB.O.

This book describes fundamental theory and recent advances of sum frequency generation (SFG) spectroscopy.