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Theoretical Chemistry for Experimental Chemists

Pragmatics and Fundamentals

  • Book
  • © 2020

Overview

  • Includes a wealth of applied examples, making it especially appealing to experimentalists
  • Provides a robust interface between experimentation and theory
  • Highlights possibly unnoticed, practically valuable, and specialized aspects of chemistry for experimental chemists

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Table of contents (4 chapters)

Keywords

About this book

This book presents active application aspects of theoretical chemistry, and is particularly intended for experimental chemists, ranging from graduate students to more professional researchers, who are developing new materials or searching for novel properties of the materials they work with. It not only addresses the fundamental aspects of theoretical chemistry but also provides abundant examples of applications based on the electronic structure analyses of actual systems. As the book demonstrates, these analyses can deepen our understanding of a variety of chemical phenomena, including the chemical reactivities and electronic properties of substances, in a bottom-up manner. By illustrating how electronic structure analyses can be effectively applied, the book introduces readers to the impressive potential of theoretical chemistry, which they can adapt for their own purposes, and without having to suffer through a parade of complex formulae.

Authors and Affiliations

  • Fukui Institute for Fundamental Chemistry, Kyoto University, Kyoto, Japan

    Kazuyoshi Tanaka

About the author

Kazuyoshi Tanaka, Senior Research Fellow (Emeritus Professor of Kyoto University)

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