Reviews in computational chemistry, volume 27
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Reviews in computational chemistry, volume 27
Reviews inComputationalChemistryVolume 27Reviews in Computational Chemistry 27Edited byKenny B. LipkowitzEditor EmeritusDonald B. Boyd©WILEYA John Wil Reviews in computational chemistry, volume 27ley & Sons, Inc., PublicationKenny B. LipkowitzOffice of Naval Research 875 North Randolph Street Arlington, VA 22203-1995 U.S.A.kcnny.lipkowitz@navy.milDonald B. BoydDepartment of Chemistry andChemical BiologyIndiana University-PurdueUniversity at Indianapolis 402 North Blackford Street Indianapoli Reviews in computational chemistry, volume 27s, Indiana 46202-3274 U.S.A.dboyd@iupui.eduCopyright €>2011 by John Wiley & Sons, Inc. All rights reservedPublished by John Wiley &Í Sons, Inc., HobokReviews in computational chemistry, volume 27
en, New JerseyPublished simultaneously in CanadaNo part of this publication may be reproduced, stored in a retrieval system, or transmitted in any forReviews inComputationalChemistryVolume 27Reviews in Computational Chemistry 27Edited byKenny B. LipkowitzEditor EmeritusDonald B. Boyd©WILEYA John Wil Reviews in computational chemistry, volume 27nited States Copyright Act, without cither the prior written permission of the Publisher, or authorization through payment of the appropriate per-copy fee to the Copyright Clearance Center, Inc., 222 Rosewood Drive, Danvers, MA 01923, (978> 750-8400, fax (978) 750-4470, or on the web at www.copyrigh Reviews in computational chemistry, volume 27t.com. Requests to the Publisher for permission should be addressed to the Permissions Department, John Wiley & Sons, Inc., 111 River Street, Hoboken,Reviews in computational chemistry, volume 27
NJ 07030, (201) 748-6011, fax (201) 748-6008, or online at http://www.wiley.com/go/permission.Limit of Liability/Disclaimcr of Warranty: While the puReviews inComputationalChemistryVolume 27Reviews in Computational Chemistry 27Edited byKenny B. LipkowitzEditor EmeritusDonald B. Boyd©WILEYA John Wil Reviews in computational chemistry, volume 27pleteness of the contents of this book and specifically disclaim any implied warranties of merchantability or fitness for a particular purpose. No warranty may be created or extended by sales representatives or written sales materials. The advice and strategics contained herein may not lx- suitable Reviews in computational chemistry, volume 27for your situation. You should consult with a professional where appropriate. Neither the publisher nor author shall be liable for any loss of profitReviews in computational chemistry, volume 27
or any other commercial damages, including but not limited to special, incidental, consequential, or other damages.For general information on our otheReviews inComputationalChemistryVolume 27Reviews in Computational Chemistry 27Edited byKenny B. LipkowitzEditor EmeritusDonald B. Boyd©WILEYA John Wil Reviews in computational chemistry, volume 27United States at (317) 572-3993 or fax (317) 572-4002.Wiley also publishes its books in a variety of electronic formats. Some content that appears in print may not be available in electronic formats. For more information about Wiley products, visit our web site at www.wiley.com.Library of Congress C Reviews in computational chemistry, volume 27ataloging-in-Publication Data:ISBN: 978-0470-58714-0ISSN: 1069-3599Printed in Singapore10 9876 5 4321PrefaceComputational chemistry transcends traditiReviews in computational chemistry, volume 27
onal barriers separating chemistry, physics, and mathematics. It is, de facto, a product of the “Computer Age,” but the impetus for its success reallyReviews inComputationalChemistryVolume 27Reviews in Computational Chemistry 27Edited byKenny B. LipkowitzEditor EmeritusDonald B. Boyd©WILEYA John Wil Reviews in computational chemistry, volume 27 quickly, in part because there were institutions like the Quantum Chemistry Program Exchange disseminating software free of charge and websites like rhe Computational Chemistry Listserve making available a variety of services, but also because of books like Reviews in Computational Chemistry provid Reviews in computational chemistry, volume 27ing tutorials and reviews, especially for nontheorists and novice molecular modelers. By and large, computational chemistry moved from the domain of tReviews in computational chemistry, volume 27
he theorist to that of rhe bench chemist, and it has moved from the realm of chemistry to other disciplines, most notably in the biological sciences wReviews inComputationalChemistryVolume 27Reviews in Computational Chemistry 27Edited byKenny B. LipkowitzEditor EmeritusDonald B. Boyd©WILEYA John Wil Reviews in computational chemistry, volume 27s of interest to chemists. Those topics were written by mathematicians, chemists, computer scientists, engineers, and physicists, and they cover a wide swath of computing in science, engineering, and technology. One area of research where chemists are under-represented in terms of theory and simulat Reviews in computational chemistry, volume 27ion, however, is in multiscale modeling. The scales typically involved here are those in, say, a molecular dynamics protein folding study where picoseReviews in computational chemistry, volume 27
conds are required for assessing molecular vibrations but milliseconds are needed to understand segmental relaxation, and length scales in materials sReviews inComputationalChemistryVolume 27Reviews in Computational Chemistry 27Edited byKenny B. LipkowitzEditor EmeritusDonald B. Boyd©WILEYA John Wil Reviews in computational chemistry, volume 27ng certain bulk behavior.Reviews inComputationalChemistryVolume 27Reviews in Computational Chemistry 27Edited byKenny B. LipkowitzEditor EmeritusDonald B. Boyd©WILEYA John WilGọi ngay
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