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This complex subject has been simplified by the authors with down-to-earth presentations of molecular theory. Using the potential distribution theorem (PDT) as the basis, the text provides an up-to-date discussion of practical theories in conjunction with simulation results. The authors discuss the field in a concise and simple manner, illustrating the text with useful models of solution thermodynamics and numerous exercises. Modern quasi-chemical theories that permit statistical thermodynamic properties to be studied on the basis of electronic structure calculations are given extended development, as is the testing of those theoretical results with ab initio molecular dynamics simulations. The book is intended for students undertaking research problems of molecular science in chemistry, chemical engineering, biochemistry, pharmaceutical chemistry, nanotechnology, and biotechnology.  \nThomas L. Beck is Professor of Chemistry and Physics at the University of Cincinnati. His research focuses on the development of quantum simulation methods and solution phase theory and modeling.  \nMichael E. Paulaitis is Professor of Chemical and Biomolecular Engineering and Ohio Eminent Scholar at Ohio State University. He is also Director of the Institute of Multiscale Modeling of Biological Interactions at Johns Hopkins University. His research focuses on molecular thermodynamics of hydration, protein solution thermodynamics, and molecular simulations of biological macromolecules.  \nLawrence R. Pratt works in the Theoretical Chemistry and Molecular Physics Group at Los Alamos National Laboratory. His research focuses on theoretical problems in chemical physics, especially on the theory of molecular solutions and on hydration problems in molecular biophysics.  \nTHE POTENTIAL DISTRIBUTION THEOREM AND MODELS OF MOLECULAR SOLUTIONS  \nTHOMAS L . BECK  \nDepartments of Chemistry and Physics, University of Cincinnati  \nMICHAEL E . PAULAITIS  \nDepartment of Chemical and Biomolecular Engineering,  \nOhio State University  \nLAWRENCE R . PRATT  \nTheoretical Division, Los Alamos National Laboratory  \n􀀁􀀂􀀃􀀄􀀅􀀆􀀇􀀈􀀉 􀀊􀀋􀀆􀀌􀀉􀀅􀀍􀀆􀀎􀀏 􀀐􀀅􀀉􀀍􀀍  \nCambridge, New York, Melbourne, Madrid, Cape Town, Singapore, São Paulo  \nCambridge University Press  \nThe Edinburgh Building, Cambridge 􀀁􀀄􀀑 􀀑􀀅􀀊, UK  \nPublished in the United States of America by Cambridge University Press, New York [www.cambridge.org](www.cambridge.org)  \nInformation on this [title: www.cambridge.org/9780521822152](title: www.cambridge.org/9780521822152)  \n© T. L. Beck, M. E. Paulaitis, and L. R. Pratt 2006  \nThis publication is in copyright. Subject to statutory exception and to the provision of relevant collective licensing agreements, no reproduction of any part may take place without the written permission of Cambridge University Press.  \nFirst published in print format 2006  \n􀀆􀀍􀀄􀀋-􀀒􀀓 􀀔􀀕􀀖-􀀗-􀀘􀀒􀀒-􀀑􀀙􀀒􀀗􀀒-􀀕 eBook (EBL)  \n􀀆􀀍􀀄􀀋-􀀒􀀗 􀀗-􀀘􀀒􀀒-􀀑􀀙􀀒􀀗􀀒-􀀒 eBook (EBL)  \n􀀆􀀍􀀄􀀋-􀀒􀀓 􀀔􀀕􀀖-􀀗-􀀘􀀑􀀒-􀀖􀀑􀀑􀀒􀀘-􀀑 hardback 􀀆􀀍􀀄􀀋-􀀒􀀗 􀀗-􀀘􀀑􀀒-􀀖􀀑􀀑􀀒􀀘-􀀕 hardback  \nCambridge University Press has no responsibility for the persistence or accuracy of 􀀊􀀅􀀚s for external or third-party internet websites referred to in this publication, and does not guarantee that any content on such websites is, or will remain, accurate or appropriate.  \nContents  \nPreface page vii  \nAcknowledgements x  \nGlossary xi  \n1 Introduction 1  \n1.1 Molecules in solution 4  \n1.2 Looking forward 16  \n1.3 Notation and the theory of molecular liquids 16  \n2 Statistical thermodynamic necessities 23  \n2.1 The free energy and chemical potentials 23  \n3 Potential distribution theorem 32  \n3.1 Derivation of the potential distribution theorem 39  \n3.2 Weak field limit 40  \n3.3 Potential distribution theorem view of averages 41  \n3.4 Ensemble dependence 43  \n3.5 Inhomogene","cbCaiiy7TAweAnry","https://ap.wps.com/l/cbCaiiy7TAweAnry","pdf",1649955,246,"English","# Contents\n## Preface\n## Acknowledgements\n## Glossary\n## 1 Introduction\n## 2 Statistical thermodynamic necessities\n## 3 Potential distribution theorem\n## 4 Models\n## 5 Generalities\n## 6 Statistical tentacles\n## 7 Quasi-chemical theory\n## 8 Developed examples\n## References\n## Index","[{\"question\":\"What is the book’s core theoretical foundation?\",\"answer\":\"The book is centered on the potential distribution theorem (PDT) as the basis for building practical models of molecular solution thermodynamics.\"},{\"question\":\"How does the text connect theory to computational evidence?\",\"answer\":\"It presents up-to-date theoretical discussions alongside simulation results, including testing quasi-chemical theoretical predictions using ab initio molecular dynamics simulations.\"},{\"question\":\"Who is the intended audience for the book?\",\"answer\":\"The book targets students undertaking research problems in molecular science across chemistry, chemical engineering, biochemistry, pharmaceutical chemistry, nanotechnology, and biotechnology.\"}]","The Potential Distribution Theorem and Models of Molecular Solutions | PDF",1789973977,620]