Chemical Science of π-Electron Systems

Chemical Science of π-Electron Systems
Author: Takeshi Akasaka
Publisher: Springer
Total Pages: 765
Release: 2015-11-05
Genre: Science
ISBN: 4431553576

This book presents the most advanced review available of all aspects of π-electron systems, including novel structures, new synthetic protocols, chemical and physical properties, spectroscopic and computational insights, molecular engineering, device properties and physiological properties. π-Electron systems are ubiquitous in nature. Plants convert light energy into chemical energy by photosynthetic processes, in which chlorophylls and other porphyrinoids play an important role. On the one hand, research to learn about photosynthesis from nature has led to understanding of electron and energy transfer processes and to achieving artificial energy conversion systems inspired by nature. On the other hand, recent advances in organic and inorganic chemistry make it possible to construct novel π-electron systems that had never existed in nature. The authors of this book are from a variety of research fields including organic chemistry, inorganic chemistry, physical chemistry, materials science, and biology, providing a comprehensive overview of π-electron systems for a broad readership. Not only specialists but also graduate students working in π-electron systems will find the book of great interest. Throughout, the diverse potential for future fruitful applications of π-electron systems is revealed to the reader.

Electronic Structure and Chemical Bonding

Electronic Structure and Chemical Bonding
Author: J. R. Lalanne
Publisher: World Scientific
Total Pages: 320
Release: 1996
Genre: Science
ISBN: 9789810226657

This book addresses the problem of teaching the Electronic Structure and Chemical Bonding of atoms and molecules to high school and university students. It presents the outcomes of thorough investigations of some teaching methods as well as an unconventional didactical approach which were developed during a seminar for further training organized by the University of Bordeaux I for teachers of the physical sciences.The text is the result of a collective effort by eleven scientists and teachers: physicists and chemists doing research at the university or at the CRNS, university professors, and science teachers at high-school or university level.While remaining wide open to the latest discoveries of science, the text also offers a large number of problems along with their solutions and is illustrated by several pedagogic suggestions. It is intended for the use of teachers and students of physics, chemistry, and of the physical sciences in general.

Information Theory of Molecular Systems

Information Theory of Molecular Systems
Author: Roman F Nalewajski
Publisher: Elsevier
Total Pages: 463
Release: 2006-03-31
Genre: Science
ISBN: 0080459749

As well as providing a unified outlook on physics, Information Theory (IT) has numerous applications in chemistry and biology owing to its ability to provide a measure of the entropy/information contained within probability distributions and criteria of their information "distance" (similarity) and independence. Information Theory of Molecular Systems applies standard IT to classical problems in the theory of electronic structure and chemical reactivity. The book starts by introducing the basic concepts of modern electronic structure/reactivity theory based upon the Density Functional Theory (DFT), followed by an outline of the main ideas and techniques of IT, including several illustrative applications to molecular systems. Coverage includes information origins of the chemical bond, unbiased definition of molecular fragments, adequate entropic measures of their internal (intra-fragment) and external (inter-fragment) bond-orders and valence-numbers, descriptors of their chemical reactivity, and information criteria of their similarity and independence. Information Theory of Molecular Systems is recommended to graduate students and researchers interested in fresh ideas in the theory of electronic structure and chemical reactivity.·Provides powerful tools for tackling both classical and new problems in the theory of the molecular electronic structure and chemical reactivity·Introduces basic concepts of the modern electronic structure/reactivity theory based upon the Density Functional Theory (DFT)·Outlines main ideas and techniques of Information Theory

Proton-coupled Electron Transfer

Proton-coupled Electron Transfer
Author: Sebastião J. Formosinho
Publisher: Royal Society of Chemistry
Total Pages: 169
Release: 2012
Genre: Science
ISBN: 1849731411

This book covers the most recent developments in the field of PCET reactions, from the theoretical and experimental points of view.

Ideas of Quantum Chemistry

Ideas of Quantum Chemistry
Author: Lucjan Piela
Publisher: Elsevier
Total Pages: 1122
Release: 2006-11-28
Genre: Science
ISBN: 0080466761

Ideas of Quantum Chemistry shows how quantum mechanics is applied to chemistry to give it a theoretical foundation. The structure of the book (a TREE-form) emphasizes the logical relationships between various topics, facts and methods. It shows the reader which parts of the text are needed for understanding specific aspects of the subject matter. Interspersed throughout the text are short biographies of key scientists and their contributions to the development of the field.Ideas of Quantum Chemistry has both textbook and reference work aspects. Like a textbook, the material is organized into digestable sections with each chapter following the same structure. It answers frequently asked questions and highlights the most important conclusions and the essential mathematical formulae in the text. In its reference aspects, it has a broader range than traditional quantum chemistry books and reviews virtually all of the pertinent literature. It is useful both for beginners as well as specialists in advanced topics of quantum chemistry. The book is supplemented by an appendix on the Internet.* Presents the widest range of quantum chemical problems covered in one book * Unique structure allows material to be tailored to the specific needs of the reader * Informal language facilitates the understanding of difficult topics

Electronic Structure and the Properties of Solids

Electronic Structure and the Properties of Solids
Author: Walter A. Harrison
Publisher: Courier Corporation
Total Pages: 610
Release: 2012-03-08
Genre: Science
ISBN: 0486141780

This text offers basic understanding of the electronic structure of covalent and ionic solids, simple metals, transition metals and their compounds; also explains how to calculate dielectric, conducting, bonding properties.

Two-Dimensional Electron Systems

Two-Dimensional Electron Systems
Author: E.Y. Andrei
Publisher: Springer Science & Business Media
Total Pages: 398
Release: 2012-12-06
Genre: Science
ISBN: 9401512868

Recent studies on two-dimensional systems have led to new insights into the fascinating interplay between physical properties and dimensionality. Many of these ideas have emerged from work on electrons bound to the surface of a weakly polarizable substrate such as liquid helium or solid hydrogen. The research on this subject continues to be at the forefront of modern condensed matter physics because of its fundamental simplicity as well as its connection to technologically useful devices. This book is the first comprehensive overview of experimental and theoretical research in this exciting field. It is intended to provide a coherent introduction for graduate students and non-experts, while at the same time serving as a reference source for active researchers in the field. The chapters are written by individuals who made significant contributions and cover a variety of specialized topics. These include the origin of the surface states, tunneling and magneto-tunneling out of these states, the phase diagram, collective excitations, transport and magneto-transport.

Principles and Applications of Quantum Chemistry

Principles and Applications of Quantum Chemistry
Author: V.P. Gupta
Publisher: Academic Press
Total Pages: 480
Release: 2015-10-15
Genre: Science
ISBN: 0128035013

Principles and Applications of Quantum Chemistry offers clear and simple coverage based on the author's extensive teaching at advanced universities around the globe. Where needed, derivations are detailed in an easy-to-follow manner so that you will understand the physical and mathematical aspects of quantum chemistry and molecular electronic structure. Building on this foundation, this book then explores applications, using illustrative examples to demonstrate the use of quantum chemical tools in research problems. Each chapter also uses innovative problems and bibliographic references to guide you, and throughout the book chapters cover important advances in the field including: Density functional theory (DFT) and time-dependent DFT (TD-DFT), characterization of chemical reactions, prediction of molecular geometry, molecular electrostatic potential, and quantum theory of atoms in molecules. - Simplified mathematical content and derivations for reader understanding - Useful overview of advances in the field such as Density Functional Theory (DFT) and Time-Dependent DFT (TD-DFT) - Accessible level for students and researchers interested in the use of quantum chemistry tools