Excitation Energies and Properties of Open-Shell Singlet Molecules A
This brief investigates the diradical character, which is one of the ground-state chemical indices for "bond weakness" or "electron correlation" and which allows researchers to explore the origins of the electron-correlation-driven physico-chemical phenom
- PDF / 4,624,144 Bytes
- 129 Pages / 439.37 x 666.142 pts Page_size
- 87 Downloads / 269 Views
Masayoshi Nakano
Excitation Energies and Properties of Open-Shell Singlet Molecules Applications to a New Class of Molecules for Nonlinear Optics and Singlet Fission
SpringerBriefs in Molecular Science Electrical and Magnetic Properties of Atoms, Molecules, and Clusters
Series editor George Maroulis, Patras, Greece
More information about this series at http://www.springer.com/series/11647
Masayoshi Nakano
Excitation Energies and Properties of Open-Shell Singlet Molecules Applications to a New Class of Molecules for Nonlinear Optics and Singlet Fission
123
Masayoshi Nakano Department of Materials Engineering Science Osaka University Toyonaka, Osaka Japan
ISSN 2191-5407 ISBN 978-3-319-08119-9 DOI 10.1007/978-3-319-08120-5
ISSN 2191-5415 (electronic) ISBN 978-3-319-08120-5 (eBook)
Library of Congress Control Number: 2014944342 Springer Cham Heidelberg New York Dordrecht London Ó The Author(s) 2014 This work is subject to copyright. All rights are reserved by the Publisher, whether the whole or part of the material is concerned, specifically the rights of translation, reprinting, reuse of illustrations, recitation, broadcasting, reproduction on microfilms or in any other physical way, and transmission or information storage and retrieval, electronic adaptation, computer software, or by similar or dissimilar methodology now known or hereafter developed. Exempted from this legal reservation are brief excerpts in connection with reviews or scholarly analysis or material supplied specifically for the purpose of being entered and executed on a computer system, for exclusive use by the purchaser of the work. Duplication of this publication or parts thereof is permitted only under the provisions of the Copyright Law of the Publisher’s location, in its current version, and permission for use must always be obtained from Springer. Permissions for use may be obtained through RightsLink at the Copyright Clearance Center. Violations are liable to prosecution under the respective Copyright Law. The use of general descriptive names, registered names, trademarks, service marks, etc. in this publication does not imply, even in the absence of a specific statement, that such names are exempt from the relevant protective laws and regulations and therefore free for general use. While the advice and information in this book are believed to be true and accurate at the date of publication, neither the authors nor the editors nor the publisher can accept any legal responsibility for any errors or omissions that may be made. The publisher makes no warranty, express or implied, with respect to the material contained herein. Printed on acid-free paper Springer is part of Springer Science+Business Media (www.springer.com)
To My Wife Satomi, Daughter Makiko, and Son Yoshiyuki
Preface
This book presents a novel viewpoint, ‘‘open-shell character,’’ which is a quantumchemically defined chemical index for bond nature, for excitation energies, and properties of open-shell singlet molecules, as well as its application to molecular de
Data Loading...
