Product Description: The book offers new concepts and ideas that broaden reader’s perception of modern science. Internationally established experts present the inspiring new science of complexity, which discovers new general laws covering wide range of science areas...read more

Product Description: In the past two decades, new modeling efforts have gradually incorporated more molecular and structural detail in response to environmental and technical interests. Molecular Modeling in Heavy Hydrocarbon Conversions introduces a systematic molecule-based modeling approach with a system of chemical engineering software tools that can automate the entire model building, solution, and optimization process...read more

Product Description: This volume covers the rapidly developing field of complexity studies with the underlying theme that complexity is to be found everywhere. The volume discusses many chemical applications and offers a comprehensive coverage of complexity and the ways in which it may be measured, complexity indices, complexity measures based on Shannon's information theory, and thermodynamic complexity...read more

Even high-speed supercomputers cannot easily convert traditional two-dimensional databases from chemical topology into the three-dimensional ones demanded by today's chemists, particularly those working in drug design. This fascinating volume resolves this problem by positing mathematical and topological models which greatly expand the capabilities of chemical graph theory. The authors examine QSAR and molecular similarity studies, the relationship between the sequence of amino acids and the less familiar secondary and tertiary protein structures, and new topological methods.

Product Description: Topology is becoming increasingly important in chemistry because of its rapidly growing number of applications. Here, its many uses are reviewed and the authors anticipate what future developments might bring. This work shows how significant new insights can be gained by representing molecular species as topological structures known as topographs...read more (view table of contents, read Amazon.com's description)

Product Description: This book is intended as a guide to the ab initio calculation of molecular structure and properties. It provides the necessary working information to enable the non-specialist to use and understand electronic structure methods and related computing technology, despite the high level of sophistication of quantum chemical methods...read more