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This journey through the fascinating world of molecular topology focuses on catenanes, rotaxanes and knots, their synthesis, properties, and applications and the theory of interlocking and interpenetrating molecules. Nearly one hundred years of progress have passed since Willstatter's speculative vision of a molecule consisting of two interlinked rings. But even today the synthesis of such structu…

The synthesis of macrocycles is an art in itself. Template-controlled synthesis provides elegant access to fascinating macrocyclic structures. Polyazamacrocycles, crown ethers, cryptands, rotaxanes, knots – the range of macrocyclic compounds is as broad as their potential application as molecular switches, in ion exchange, electron transfer or catalysis. This book provides authoritative informatio…

A new volume in the «Perspectives in Supramolecular Chemistry» series focusing on separating supramolecular structures, a key step in supramolecular chemistry. Two guest editors have been at the forefront of the development of chromatographical methods to deal with supramolecular systems. Reactions of supramolecular structures show the way into the future of chemistry. Fumio Toda is one of the dri…

Advances in computer technology have conveniently coincided with trends in numerical analysis toward increased complexity of computational algorithms based on finite difference methods. It is no longer feasible to perform stability investigation of these methods manually–and no longer necessary. As this book shows, modern computer algebra tools can be combined with methods from numerical analysis …

This book features scientists from a broad spectrum of disciplines discussing recent data on aggression in laboratory animals with particular reference to possible implications for understanding human aggression. Chapters focus on the major current experimental issues in the study of aggression in humans and animals. The extensive discussions deal with specific problems of interpretation at the mo…

Not only a major reference work for sale to the library market, Reviews in Computational Chemistry is now a purchase by individuals due to the explosive growth in the use of computational chemistry throughout many scientific disciplines. In an instructional and nonmathematical style, these books provide an access to computational methods often outside a researcher's area of expertise. Volumes 9 & …

Volume 11 Reviews in Computational Chemistry Kenny B. Lipkowitz and Donald B. Boyd The Theme of this Eleventh Volume is Computer-Aided Ligand Design and Modeling of Biomolecules. A Stellar Group of Scientists from Around the World Join in this Volume to Provide Tutorials for Beginners and Experts. Chapters 1 and 2 Take A Detailed Look at De Novo Design Methodologies for Discovering New Ligands whi…

VOLUME 12: REVIEWS IN COMPUTATIONAL CHEMISTRY Kenny B. Lipkowitz and Donald B. Boyd HOW DOES ONE COMPUTE FREE ENERGY AND ENTROPY FROM MOLECULAR SIMULATIONS? WHAT HAPPENS WHEN SIMULATIONS ARE RUN WITH CONSTRAINTS? HOW SHOULD SIMULATIONS BE PERFORMED TO MODEL INTERFACIAL PHENOMENA? HOW IS DENSITY FUNCTIONAL THEORY USED TO SIMULATE MATERIALS? WHAT QUANTUM MECHANICAL METHODS SHOULD BE USED TO COMPUTE …

THIS BOOK HAS SIX TUTORIALS AND REVIEWS WRITTEN BY INVITED EXPERTS. FIVE CHAPTERS TEACH TOPICS IN QUANTUM MECHANICS AND MOLECULAR SIMULATIONS. THE SIXTH CHAPTER EXPLAINS HOW PROGRAMS FOR CHEMICAL STRUCTURE DRAWING WORK. AN EDITORIAL DISCUSSES SOME OF THE MOST WELL-KNOWN PERSONAGES IN COMPUTATIONAL CHEMISTRY. FROM REVIEWS OF THE SERIES «Anyone who is doing or intends to do computational research on…

THIS VOLUME, WHICH IS DESIGNED FOR STAND-ALONE USE IN TEACHING AND RESEARCH, FOCUSES ON QUANTUM CHEMISTRY, AN AREA OF SCIENCE THAT MANY CONSIDER TO BE THE CENTRAL CORE OF COMPUTATIONAL CHEMISTRY. TUTORIALS AND REVIEWS COVER * HOW TO OBTAIN SIMPLE CHEMICAL INSIGHT AND CONCEPTS FROM DENSITY FUNCTIONAL THEORY CALCULATIONS, * HOW TO MODEL PHOTOCHEMICAL REACTIONS AND EXCITED STATES, AND * HOW TO COMPUT…

THIS VOLUME, WHICH IS DESIGNED FOR STAND-ALONE USE IN TEACHING AND RESEARCH, FOCUSES ON QUANTUM CHEMISTRY, AN AREA OF SCIENCE THAT MANY CONSIDER TO BE THE CENTRAL CORE OF COMPUTATIONAL CHEMISTRY. TUTORIALS AND REVIEWS COVER * HOW TO OBTAIN SIMPLE CHEMICAL INSIGHT AND CONCEPTS FROM DENSITY FUNCTIONAL THEORY CALCULATIONS, * HOW TO MODEL PHOTOCHEMICAL REACTIONS AND EXCITED STATES, AND * HOW TO COMPUT…

Volume 16 Reviews In Computational Chemistry Kenny B. Lipkowitz and Donald B. Boyd The focus of this book is on methods useful in molecular design. Tutorials and reviews span (1) methods for designing compound libraries for combinatorial chemistry and high throughput screening, (2) the workings of artificial neural networks and their use in chemistry, (3) force field methods for modeling materials…

The Advances in Chemical Physics series provides the chemical physics and physical chemistry fields with a forum for critical, authoritative evaluations of advances in every area of the discipline. Filled with cutting-edge research reported in a cohesive manner not found elsewhere in the literature, each volume of the Advances in Chemical Physics series serves as the perfect supplement to any adva…

Fractals, Diffusion and Relaxation in Disordered Complex Systems is a special guest-edited, two-part volume of Advances in Chemical Physics that continues to report recent advances with significant, up-to-date chapters by internationally recognized researchers.

A compilation of recent advances and applications in asymmetric catalysis The field of asymmetric catalysis has grown rapidly and plays a key role in drug discovery and pharmaceuticals. New Frontiers in Asymmetric Catalysis gives readers a fundamental understanding of the concepts and applications of asymmetric catalysis reactions and discusses the latest developments and findings. With contributi…