Quantum Biochemistry

Edited by Chérif F. Matta Quantum Biochemistry Edited by Che´rif F. Matta Quantum Biochemistry Related Titles Feig, M. (Ed.) Morokuma, K., Musaev, D. (eds.) Modeling Solvent Environments Computational Modeling for Homogeneous and Enzymatic Catalysis Applications to Simulations of Biomolecules 2010 Hardcover ISBN: 978-3-527-32421-7 A Knowledge-Base for Designing Efficient Catalysts 2008 Hardcover ISBN: 978-3-527-31843-8 Reiher, M., Wolf, A. Relativistic Quantum Chemistry The Fundamental Theory of Molecular Science 2009 Hardcover ISBN: 978-3-527-31292-4 Matta, C. F., Boyd, R. J. (eds.) The Quantum Theory of Atoms in Molecules From Solid State to DNA and Drug Design 2007 Hardcover ISBN: 978-3-527-30748-7 Meyer, H.-D., Gatti, F., Worth, G. A. (eds.) Multidimensional Quantum Dynamics Rode, B.M., Hofer, T., Kugler, M. MCTDH Theory and Applications The Basics of Theoretical and Computational Chemistry 2009 2007 Hardcover ISBN: 978-3-527-32018-9 Hardcover ISBN: 978-3-527-31773-8 Comba, P., Hambley, T. W., Martin, B. Molecular Modeling of Inorganic Compounds 2009 Hardcover ISBN: 978-3-527-31799-8 Edited by Chérif F. Matta Quantum Biochemistry The Editor Prof. Chérif F. Matta Dept. of Chemistry & Physics Mount Saint Vincent Univ. Halifax, Nova Scotia Canada B3M 2J6 and Dept. of Chemistry Dalhousie University Halifax, Nova Scotia, Canada B3H 4J3 Cover: About the cover graphic (from Chapter 14): A superimposition of (1) the electron density r contour map of a Guanine-Cytosine WatsonCrick base pair in the molecular plane (the outermost contour is the 0.001 e-/bohr3 isocontour followed by 2×10n, 4×10n, and 8×10n e-/bohr3 with n starting at –3 and increasing in steps of unity); and (2) representative lines of the gradient of the density rr. The density is partitioned into non-spherical color-coded “atomsin-molecules (AIM)”, each containing a single nucleus. (Adapted from: C. F. Matta, PhD Thesis, McMaster University, Hamilton, Canada, 2002). (Courtesy of Chérif F. Matta). Credit: The phrase “Quantum Biochemistry” used in the title of this book has been coined by Bernard Pullman and Alberte Pullman (B. Pullman and A. Pullman, Quantum Biochemistry; Interscience Publishers: New York, 1963). All books published by Wiley-VCH are carefully produced. Nevertheless, authors, editors, and publisher do not warrant the information contained in these books, including this book, to be free of errors. Readers are advised to keep in mind that statements, data, illustrations, procedural details or other items may inadvertently be inaccurate. Library of Congress Card No.: applied for British Library Cataloguing-in-Publication Data A catalogue record for this book is available from the British Library. Bibliographic information published by the Deutsche Nationalbibliothek The Deutsche Nationalbibliothek lists this publication in the Deutsche Nationalbibliografie;