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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.
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 Exploration of Supramolecular Systems and Nanostructures by Photochemical Techniques provides a comprehensive view of the most commonly used photochemical and photophysical techniques and their applications to the study of supramolecular systems.
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 is an up-to-date text covering topics in utilizing hydrogen bonding for constructing functional architectures and supramolecular materials. The first chapter addresses the control of photo-induced electron and energy transfer. The second chapter summarizes the formation of nano-porous materials. The following two chapters introduce self-assembled gels, many of which exhibit unique functions. Other chapters cover the advances in supramolecular liquid crystals and the versatility of hydrogen bonding in tuning/improving the properties and performance of materials.This book is designed to bring together in a single volume the most important and active fields of hydrogen bonding strategy for designing supramolecular materials. The book will be a valuable resource for graduates and researchers working in the fields of supramolecular chemistry and materials sciences.Zhan-Ting Li, PhD, is a Professor of Organic Chemistry at the Department of Chemistry, Fudan University, ChinaLi-Zhu Wu, PhD, is a Professor of Organic Chemistry at the Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, China
Impressive advances have been made in the study of atomic structures, at both the experimental and theoretical levels.
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.
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.
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;
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.
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.
"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.
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.
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).
This Hamiltonian is useful for molecules containing massive nuclei and moreover, has been extremely useful in interpreting the rovibrational spectra of small molecules.
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.
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.
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.
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