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A General Model For The Treatment Of Solute Solvent Interactions
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Book Synopsis Quantitative Treatments of Solute/Solvent Interactions by : P. Politzer
Download or read book Quantitative Treatments of Solute/Solvent Interactions written by P. Politzer and published by . This book was released on 1994-12-07 with total page 384 pages. Available in PDF, EPUB and Kindle. Book excerpt: The primary objective of this volume, the first in a new series entitled Theoretical and Computational Chemistry, is to survey some effective approaches to understanding, describing and predicting ways in which solutes and solvents interact and the effects they have upon each other. The treatment of solute/solvent interactions that is presented emphasizes a synergism between theory and experiment. Data obtained experimentally are used as a basis for developing quantitative theoretical models that permit the correlation and interpretation of the data, and also provide a predictive capability. The latter being of course a key motivation for these efforts. Linear solvation energy relationships have been quite successful in this respect and accordingly receive considerable attention. Other effective approaches, including computational ones, are also being pursued, and are discussed in several chapters. This is an area that is continually evolving, and it is hoped that the present volume will convey a sense of its dynamic nature.
Book Synopsis Advances in Chromatography by : Nelu Grinberg
Download or read book Advances in Chromatography written by Nelu Grinberg and published by CRC Press. This book was released on 2017-08-15 with total page 158 pages. Available in PDF, EPUB and Kindle. Book excerpt: For more than five decades, scientists and researchers have relied on the Advances in Chromatography series for the most up-to-date information on a wide range of developments in chromatographic methods and applications. For Volume 54, the series editors have invited established, well-known chemists to offer cutting-edge reviews of chromatographic methods applied in the life sciences that emphasize the underlying principle of separation science. The clear presentation of topics and vivid illustrations for which this series has become known makes the material accessible and engaging to analytical, biochemical, organic, polymer, and pharmaceutical chemists at all levels of technical skill.
Book Synopsis Systems Engineering Approach to Medical Automation by : Robin Felder
Download or read book Systems Engineering Approach to Medical Automation written by Robin Felder and published by Artech House. This book was released on 2008 with total page 316 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book offers you a solid understanding of medical automation principles and the latest applications in the field. You discover how computers and devices can be used to schedule personnel and services, and help maintain a just-in-time, lean, and more affordable medical services. You learn how to automate your pharmacy and laboratory services for maximum profit and minimum turnaround time. Moreover, this forward-looking book helps you determine how nanotechnology is evolving to solve difficult medical challenges.
Book Synopsis Theoretical Treatment of Large Molecules and Their Interactions by : Zvonimir B. Maksic
Download or read book Theoretical Treatment of Large Molecules and Their Interactions written by Zvonimir B. Maksic and published by Springer Science & Business Media. This book was released on 2013-03-07 with total page 462 pages. Available in PDF, EPUB and Kindle. Book excerpt: The French chemist Marcelin Berthelot put forward a classical and by now an often cited sentence revealing the quintessence of the chemical science: "La Chimie cree son objet". This is certainly true because the largest number of molecular compounds were and are continuously synthesized by chemists themselves. However, modern computational quantum chemistry has reached a state of maturity that one can safely say: "La Chimie Theorique cree son objet" as well. Indeed, modern theoretical chemistry is able today to provide reliable results on elusive systems such as short living species, reactive intermediates and molecules which will perhaps never be synthesized because of one or another type of instability. It is capable of yielding precious information on the nature of the transition states, reaction paths etc. Additionally, computational chemistry gives some details of the electronic and geometric structure of molecules which remain hidden in experimental examinations. Hence, it follows that powerful numerical techniques have substantially enlarged the domain of classical chemistry. On the other hand, interpretive quantum chemistry has provided a conceptual framework which enabled rationalization and understanding of the precise data offered either by experiment or theory. It is modelling which gives a penetrating insight into the chemical phenomena and provides order in raw experimental results which would otherwise represent just a large catalogue of unrelated facts.
Book Synopsis Computational Strategies for Spectroscopy by : Vincenzo Barone
Download or read book Computational Strategies for Spectroscopy written by Vincenzo Barone and published by John Wiley & Sons. This book was released on 2011-11-22 with total page 608 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational spectroscopy is a rapidly evolving field that is becoming a versatile and widespread tool for the assignment of experimental spectra and their interpretation as related to chemical physical effects. This book is devoted to the most significant methodological contributions in the field, and to the computation of IR, UV-VIS, NMR and EPR spectral parameters with reference to the underlying vibronic and environmental effects. Each section starts with a chapter written by an experimental spectroscopist dealing with present challenges in the different fields; comprehensive coverage of conventional and advanced spectroscopic techniques is provided by means of dedicated chapters written by experts. Computational chemists, analytical chemists and spectroscopists, physicists, materials scientists, and graduate students will benefit from this thorough resource.
Book Synopsis Modern Physical Organic Chemistry by : Eric V. Anslyn
Download or read book Modern Physical Organic Chemistry written by Eric V. Anslyn and published by University Science Books. This book was released on 2006 with total page 1148 pages. Available in PDF, EPUB and Kindle. Book excerpt: In additionto covering thoroughly the core areas of physical organic chemistry -structure and mechanism - this book will escortthe practitioner of organic chemistry into a field that has been thoroughlyupdated.
Book Synopsis Conformational Analysis of Molecules in Excited States by : Jacek Waluk
Download or read book Conformational Analysis of Molecules in Excited States written by Jacek Waluk and published by John Wiley & Sons. This book was released on 2000-06-13 with total page 400 pages. Available in PDF, EPUB and Kindle. Book excerpt: A unique look at some of the hottest topics in photophysics and photochemistry today The study of molecules in excited states has exploded over the past decade, providing new insights into conformational changes in organic molecules and opening up research opportunities for scientists and professionals in chemistry, physics, biology, medicine, and materials engineering. Using conformational analysis as a unifying concept, this important new work provides readers with a cohesive and cutting-edge overview of this fascinating and challenging field. From conformational changes accompanying photoinduced electron transfer to elementary photophysical and photochemical processes in living systems, the most representative and challenging topics are carefully gleaned from the vast literature, highlighting major conceptual problems along with the relevant experimental techniques. Authoritative, detailed contributions from both experimentalists and theoreticians include coverage of: * Conformational changes in intramolecular excited state electron transfer * Conformational aspects of excited state proton transfer * The novel topic of solute-solvent friction in chemical reactions * Mechanisms and structural aspects of exciplex formations * Conformational aspects of organic photochemistry * Calculations of excited state conformational properties
Book Synopsis Solvents and Solvent Effects in Organic Chemistry by : Christian Reichardt
Download or read book Solvents and Solvent Effects in Organic Chemistry written by Christian Reichardt and published by John Wiley & Sons. This book was released on 2011-08-04 with total page 722 pages. Available in PDF, EPUB and Kindle. Book excerpt: Now in its 4th edition, this book remains the ultimate reference for all questions regarding solvents and solvent effects in organic chemistry. Retaining its proven concept, there is no other book which covers the subject in so much depth, the handbook is completely updated and contains 15% more content, including new chapters on "Solvents and Green chemistry", "Classification of Solvents by their Environmental Impact", and "Ionic Liquids". An essential part of every organic chemist's library.
Download or read book Photochemistry written by Angelo Albini and published by Royal Society of Chemistry. This book was released on 2014-09-30 with total page 288 pages. Available in PDF, EPUB and Kindle. Book excerpt: The SPR in Photochemistry provides essential reading for anyone wishing to keep up to date with the literature or gain a broad appreciation of the field.
Book Synopsis The Potential Distribution Theorem and Models of Molecular Solutions by : Tom L. Beck
Download or read book The Potential Distribution Theorem and Models of Molecular Solutions written by Tom L. Beck and published by Cambridge University Press. This book was released on 2006-08-31 with total page 245 pages. Available in PDF, EPUB and Kindle. Book excerpt: An understanding of statistical thermodynamic molecular theory is fundamental to the appreciation of molecular solutions. 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 a 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 taking up research problems of molecular science in chemistry, chemical engineering, biochemistry, pharmaceutical chemistry, nanotechnology and biotechnology.
Book Synopsis Amino Acids, Peptides and Proteins by : R C Sheppard
Download or read book Amino Acids, Peptides and Proteins written by R C Sheppard and published by Royal Society of Chemistry. This book was released on 2007-10-31 with total page 530 pages. Available in PDF, EPUB and Kindle. Book excerpt: Specialist Periodical Reports provide systematic and detailed review coverage of progress in the major areas of chemical research. Written by experts in their specialist fields the series creates a unique service for the active research chemist, supplying regular critical in-depth accounts of progress in particular areas of chemistry. For over 80 years the Royal Society of Chemistry and its predecessor, the Chemical Society, have been publishing reports charting developments in chemistry, which originally took the form of Annual Reports. However, by 1967 the whole spectrum of chemistry could no longer be contained within one volume and the series Specialist Periodical Reports was born. The Annual Reports themselves still existed but were divided into two, and subsequently three, volumes covering Inorganic, Organic and Physical Chemistry. For more general coverage of the highlights in chemistry they remain a 'must'. Since that time the SPR series has altered according to the fluctuating degree of activity in various fields of chemistry. Some titles have remained unchanged, while others have altered their emphasis along with their titles; some have been combined under a new name whereas others have had to be discontinued. The current list of Specialist Periodical Reports can be seen on the inside flap of this volume.
Book Synopsis Handbook of Solubility Data for Pharmaceuticals by : Abolghasem Jouyban
Download or read book Handbook of Solubility Data for Pharmaceuticals written by Abolghasem Jouyban and published by CRC Press. This book was released on 2009-08-26 with total page 554 pages. Available in PDF, EPUB and Kindle. Book excerpt: Aqueous solubility is one of the major challenges in the early stages of drug discovery. One of the most common and effective methods for enhancing solubility is the addition of an organic solvent to the aqueous solution. Along with an introduction to cosolvency models, the Handbook of Solubility Data for Pharmaceuticals provides an extensive datab
Book Synopsis Computational Organic Chemistry by : Steven M. Bachrach
Download or read book Computational Organic Chemistry written by Steven M. Bachrach and published by John Wiley & Sons. This book was released on 2014-04-07 with total page 653 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Second Edition demonstrates how computational chemistry continues to shed new light on organic chemistry The Second Edition of author Steven Bachrach’s highly acclaimed Computational Organic Chemistry reflects the tremendous advances in computational methods since the publication of the First Edition, explaining how these advances have shaped our current understanding of organic chemistry. Readers familiar with the First Edition will discover new and revised material in all chapters, including new case studies and examples. There’s also a new chapter dedicated to computational enzymology that demonstrates how principles of quantum mechanics applied to organic reactions can be extended to biological systems. Computational Organic Chemistry covers a broad range of problems and challenges in organic chemistry where computational chemistry has played a significant role in developing new theories or where it has provided additional evidence to support experimentally derived insights. Readers do not have to be experts in quantum mechanics. The first chapter of the book introduces all of the major theoretical concepts and definitions of quantum mechanics followed by a chapter dedicated to computed spectral properties and structure identification. Next, the book covers: Fundamentals of organic chemistry Pericyclic reactions Diradicals and carbenes Organic reactions of anions Solution-phase organic chemistry Organic reaction dynamics The final chapter offers new computational approaches to understand enzymes. The book features interviews with preeminent computational chemists, underscoring the role of collaboration in developing new science. Three of these interviews are new to this edition. Readers interested in exploring individual topics in greater depth should turn to the book’s ancillary website www.comporgchem.com, which offers updates and supporting information. Plus, every cited article that is available in electronic form is listed with a link to the article.
Book Synopsis Advances in Chemical Physics, Volume 48 by : Ilya Prigogine
Download or read book Advances in Chemical Physics, Volume 48 written by Ilya Prigogine and published by John Wiley & Sons. This book was released on 2009-09-08 with total page 562 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Advances in Chemical Physics series provides the chemical physics and physical chemistry fields with a forum for critical, authoritative evaluations of advances in every area of the discipline. Filled with cutting-edge research reported in a cohesive manner not found elsewhere in the literature, each volume of the Advances in Chemical Physics series serves as the perfect supplement to any advanced graduate class devoted to the study of chemical physics.
Book Synopsis Pharmaceutical Stress Testing by : Steven W. Baertschi
Download or read book Pharmaceutical Stress Testing written by Steven W. Baertschi and published by CRC Press. This book was released on 2016-04-19 with total page 626 pages. Available in PDF, EPUB and Kindle. Book excerpt: The second edition of Pharmaceutical Stress Testing: Predicting Drug Degradation provides a practical and scientific guide to designing, executing and interpreting stress testing studies for drug substance and drug product. This is the only guide available to tackle this subject in-depth. The Second Edition expands coverage from chemical stability
Book Synopsis Concepts and Models by : D.C. Tosteson
Download or read book Concepts and Models written by D.C. Tosteson and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 551 pages. Available in PDF, EPUB and Kindle. Book excerpt: This Volume forms the cornerstone of this series of four books on Membrane Transport in Biology. It includes chapters that address i) the theoretical basis of investigations of transport processes across biological membranes, ii) some of the experimental operations often used by scientists in this field, iii) chemical and biological properties common to most biological membranes, and iv) planar thin lipid bilayers as models for biological membranes. The themes developed in these chapters recur frequently throughout the entire series. Transport of molecules across biological membranes is a special case of diffu sion and convection in liquids. The conceptual frame of reference used by investigators in this field derives, in large part, from theories of such processes in homogeneous phases. Examples of the application of such theories to transport across biological membranes are found in Chapters 2 and 4 of this Volume. In Chapter 2, Sten-Knudsen emphasizes a statistical and molecular approach while, in Chapter 4 Sauer makes heavy use of the thermodynamics of irreversi ble processes. Taken together, these contributions introduce the reader to the two sets of ideas which have dominated the thinking of scientists working in this field. Theoretical consideration of a more special character are also included in several other Chapters in Volume I. For example, Ussing (Chapter 3) re-works the flux ratio equation which he introduced into the field of transport across biological membranes in 1949.
Book Synopsis Advances in Linear Free Energy Relationships by : N. Chapman
Download or read book Advances in Linear Free Energy Relationships written by N. Chapman and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 493 pages. Available in PDF, EPUB and Kindle. Book excerpt: Louis P. Hammett Mitchill Professor Emeritus of Chemistry, Columbia University My interest in linear free energy relationships began when, just out of graduate school, I read in 1924 the article by Bmnsted and Pedersen which for the first time reported the existence of such a relationship. That interest continues to be an active one and, to judge merely by the extensive biblio graphies contained in the present volume, it is widely shared. To my mind a particularly happy aspect of the existence of linear free energy relationships has been the proof it supplies that one need not suppose that the behavior of nature is hopelessly complicated merely because one cannot find a theoretical reason for supposing it to be otherwise. The effect of a substituent in an organic molecule on rate or equilibrium of reaction involves a fourfold difference between relatively large quantities, a situation which always makes for difficult theory. Yet systematic organic chemistry could hardly have existed were it not true that like changes in structure lead to like changes in reactivity. Linear free energy relationships constitute the quantitative specialisation of this fundamental principle, and they stand indeed more in the office of teacher to theory than in that of learner from it.
