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A Chemist's Guide to Valence Bond Theory
This reference on current VB theory and applications presents a practical system that can be applied to a variety of chemical problems in a uniform manner. After explaining basic VB theory, it discusses VB applications to bonding problems, aromaticity and antiaromaticity, the dioxygen molecule, polyradicals, excited states, organic reactions, inorganic/organometallic reactions, photochemical reactions, and catalytic reactions. With a guide for performing VB calculations, exercises and answers, and numerous solved problems, this is the premier reference for practitioners and upper-level students.
The Chemical Bond
This is the perfect complement to "Chemical Bonding - Across the Periodic Table" by the same editors, who are two of the top scientists working on this topic, each with extensive experience and important connections within the community. The resulting book is a unique overview of the different approaches used for describing a chemical bond, including molecular-orbital based, valence-bond based, ELF, AIM and density-functional based methods. It takes into account the many developments that have taken place in the field over the past few decades due to the rapid advances in quantum chemical models and faster computers.
Effects of Electric Fields on Structure and Reactivity
Electric-field-mediated chemistry is an emerging topic that is rapidly growing and fanning out in many directions. It involves theoretical and experimental aspects, as well as intense interplay between them, including breakthrough achievements such as the proof-of-principle that a Diels–Alder reaction, which involves two simultaneous C–C bond making events, can be catalysed or inhibited simply by changing the direction of an oriented external-electric field (OEEF). This productive interplay between the theoretical and experimental branches of chemistry is continuing, and gradually defining a new sub-field wherein various sources of electric fields, whether external or built-in and design...
New Theoretical Concepts for Understanding Organic Reactions
People who attended the NATO Advanced Study Institute (ASI) entitled NEW THEORETICAL CONCEPTS FOR UNDERSTANDING ORGANIC REAC TIONS held at Sant Feliu de Gufxols on the Costa Brava of Spain had a unique experience. They have seen the evolution of the field from qualitative arguments through the generation of Potential Energy Surfaces (PES) to the use of PES in molecular dynamics. The excellent lectures that were dedicated to the various aspects of Potential Energy Surfaces clearly revealed a colossal amount of ma terial that represents our current understanding of the overall problem. It is our hope that the present volume will recreate the excitement in the readers that we all experienced du...
Intermolecular Interactions in Crystals
This new book brings together the latest information on intermolecular bonding within molecular crystals, providing a very useful introductory text for graduates.
Theoretical Aspects of Physical Organic Chemistry
Unifies the concepts of organic chemistry by focusing on the SN2 reaction while using contemporary language and methods. Begins by discussing potential energy surfaces and their connection to kinetics and mechanisms. Covers various analyses of SN2 reactivity using the transition-state concept. Also shows how the SCD model can be used to derive the basic concepts of physical organic chemistry.
Reviews in Computational Chemistry
This volume in computational chemistry includes aspects of: theoretical chemistry, physical chemistry, computer graphics in chemistry, molecular structure, and pharmaceutical chemistry.
Spin States in Biochemistry and Inorganic Chemistry
It has long been recognized that metal spin states play a central role in the reactivity of important biomolecules, in industrial catalysis and in spin crossover compounds. As the fields of inorganic chemistry and catalysis move towards the use of cheap, non-toxic first row transition metals, it is essential to understand the important role of spin states in influencing molecular structure, bonding and reactivity. Spin States in Biochemistry and Inorganic Chemistry provides a complete picture on the importance of spin states for reactivity in biochemistry and inorganic chemistry, presenting both theoretical and experimental perspectives. The successes and pitfalls of theoretical methods such...
Chemistry as a Game of Molecular Construction
Chemistry as a Game of Molecular Construction: The Bond-Click Way utilizes an innovative and engaging approach to introduce students to the basic concepts and universal aspects of chemistry, with an emphasis on molecules’ beauty and their importance in our lives. • Offers a unique approach that portrays chemistry as a window into mankind’s material-chemical essence • Reveals the beauty of molecules through the “click” method, a teaching methodology comprised of the process of constructing molecules from building blocks • Styles molecular construction in a way that reveals the universal aspect of chemistry • Allows students to construct molecules, from the simple hydrogen molecule all the way to complex strands of DNA, thereby showing the overarching unity of matter • Provides problems sets and solutions for each chapter
Valency and Bonding
The first modernized overview of chemical valency and bonding theory, based on current computational technology.
