Download or read book An Introduction to Theoretical Chemistry written by Jack Simons and published by Cambridge University Press. This book was released on 2003-03-20 with total page 484 pages. Available in PDF, EPUB and Kindle. Book excerpt: Textbook on modern theoretical chemistry suitable for advanced undergraduate or graduate students.

Download or read book Physical Chemistry Experimental and Theoretical written by G. Van Praagh and published by Cambridge University Press. This book was released on 2015-11-19 with total page 319 pages. Available in PDF, EPUB and Kindle. Book excerpt: Originally published in 1950, this textbook was intended for school students with the aim of providing an introductory understanding of chemistry. The book introduces physical chemistry through multiple and diverse experiments; each experiment designed to reinforce a new topic and reflect theorems, approaches and historical development. Notably, the treatment throughout is from the point of view of the kinetic-molecular theory rather than that of the laws of thermodynamics, whilst emphasis is also placed upon physico-chemical phenomena and their significance in various branches of science, such as metallurgy, chemical syntheses and mineralogy. There are twelve chapters in total, with chapter titles ranging from 'Atoms and molecules' to 'Mass action and the ionic dissociation theory'. Various diagrams and plate sections are also included for reference. This book will be of value to chemistry students and scholars as well as those interested in the history of education.

Download or read book Mathematical Physics in Theoretical Chemistry written by S.M. Blinder and published by Elsevier. This book was released on 2018-11-26 with total page 426 pages. Available in PDF, EPUB and Kindle. Book excerpt: Mathematical Physics in Theoretical Chemistry deals with important topics in theoretical and computational chemistry. Topics covered include density functional theory, computational methods in biological chemistry, and Hartree-Fock methods. As the second volume in the Developments in Physical & Theoretical Chemistry series, this volume further highlights the major advances and developments in research, also serving as a basis for advanced study. With a multidisciplinary and encompassing structure guided by a highly experienced editor, the series is designed to enable researchers in both academia and industry stay abreast of developments in physical and theoretical chemistry. - Brings together the most important aspects and recent advances in theoretical and computational chemistry - Covers computational methods for small molecules, density-functional methods, and computational chemistry on personal and quantum computers - Presents cutting-edge developments in theoretical and computational chemistry that are applicable to graduate students and research professionals in chemistry, physics, materials science and biochemistry

Download or read book Modern Methods for Theoretical Physical Chemistry of Biopolymers written by Evgeni Starikov and published by Elsevier. This book was released on 2011-08-11 with total page 605 pages. Available in PDF, EPUB and Kindle. Book excerpt: Modern Methods for Theoretical Physical Chemistry of Biopolymers provides an interesting selection of contributions from an international team of researchers in theoretical chemistry. This book is extremely useful for tackling the complicated scientific problems connected with biopolymers' physics and chemistry. The applications of both the classical molecular-mechanical and molecular-dynamical methods and the quantum chemical methods needed for bridging the gap to structural and dynamical properties dependent on electron dynamics are explained. Also included are ways to deal with complex problems when all three approaches need to be considered at the same time. The book gives a rich spectrum of applications: from theoretical considerations of how ATP is produced and used as 'energy currency' in the living cell, to the effects of subtle solvent influence on properties of biopolymers and how structural changes in DNA during single-molecule manipulation may be interpreted.· Presents modern successes and trends in theoretical physical chemistry/chemical physics of biopolymers· Topics covered are of relevant importance to rapidly developing areas in science such as nanotechnology and molecular medicine· Quality selection of contributions from renowned scientists in the field

Download or read book Theoretical Models and Experimental Approaches in Physical Chemistry written by A. K. Haghi and published by CRC Press. This book was released on 2018-10-01 with total page 403 pages. Available in PDF, EPUB and Kindle. Book excerpt: This new volume presents an up-to-date review of modern materials and physical chemistry concepts, issues, and recent advances in the field. It presents a modern theoretical and experimental approach in applied physical chemistry. The volume discusses the developments of advanced chemical products and respective tools to characterize and predict the chemical material properties and behavior. With chapters from distinguished scientists and engineers from key institutions worldwide, the volume provides understanding through numerous examples and practical applications drawn from research and development chemistry. It emphasizes the intersection of chemistry, math, physics, and the resulting applications across many disciplines of science and explores applied physical chemistry principles in specific areas. At the same time, each topic is framed within the context of a broader more interdisciplinary approach, demonstrating its relationship and interconnectedness to other areas. This new book fills a gap within modeling texts, focusing on applications across a broad range of disciplines, and presents information on many important problems in physical chemistry. These investigations are accompanied by real-life applications in practice.

Download or read book Theoretical and Physical Principles of Organic Reactivity written by Addy Pross and published by Wiley-Interscience. This book was released on 1995-09-25 with total page 320 pages. Available in PDF, EPUB and Kindle. Book excerpt: This approach to the general problem of organic reactivity combines classical organic chemistry with new theoretical ideas developed by the author. The text contains a non-mathematical description of the curve crossing model, expressed in the language of qualitative valence bond theory.

Download or read book Theoretical and Physical Chemistry written by Samuel Lawrence Bigelow and published by . This book was released on 1912 with total page 612 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Theoretical Methods in Condensed Phase Chemistry written by S.D. Schwartz and published by Springer Science & Business Media. This book was released on 2006-04-11 with total page 314 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is meant to provide a window on the rapidly growing body of theoretical studies of condensed phase chemistry. A brief perusal of physical chemistry journals in the early to mid 1980’s will find a large number of theor- ical papers devoted to 3-body gas phase chemical reaction dynamics. The recent history of theoretical chemistry has seen an explosion of progress in the devel- ment of methods to study similar properties of systems with Avogadro’s number of particles. While the physical properties of condensed phase systems have long been principle targets of statistical mechanics, microscopic dynamic theories that start from detailed interaction potentials and build to first principles predictions of properties are now maturing at an extraordinary rate. The techniques in use range from classical studies of new Generalized Langevin Equations, semicl- sical studies for non-adiabatic chemical reactions in condensed phase, mixed quantum classical studies of biological systems, to fully quantum studies of m- els of condensed phase environments. These techniques have become sufficiently sophisticated, that theoretical prediction of behavior in actual condensed phase environments is now possible. and in some cases, theory is driving development in experiment. The authors and chapters in this book have been chosen to represent a wide variety in the current approaches to the theoretical chemistry of condensed phase systems. I have attempted a number of groupings of the chapters, but the - versity of the work always seems to frustrate entirely consistent grouping.

Download or read book Theoretical and Physical Chemistry written by Samuel Lawrence Bigelow and published by . This book was released on 1917 with total page 544 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Theoretical Chemistry from the Standpoint of Avogadro s Rule Thermodynamics written by Walther Nernst and published by . This book was released on 1904 with total page 808 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Physical Chemistry of Polymer Solutions written by K. Kamide and published by Elsevier. This book was released on 2000-10-16 with total page 675 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is mainly concerned with building a narrow but secure ladder which polymer chemists or engineers can climb from the primary level to an advanced level without great difficulty (but by no means easily, either). This book describes some fundamentally important topics, carefully chosen, covering subjects from thermodynamics to molecular weight and its distribution effects. For help in self-education the book adopts a "Questions and Answers" format. The mathematical derivation of each equation is shown in detail. For further reading, some original references are also given. Numerous physical properties of polymer solutions are known to be significantly different from those of low molecular weight solutions. The most probable explanation of this obvious discrepancy is the large molar volume ratio of solute to solvent together with the large number of consecutive segments that constitute each single molecule of the polymer chains present as solute. Thorough understanding of the physical chemistry of polymer solutions requires some prior mathematical background in its students. In the original literature, detailed mathematical derivations of the equations are universally omitted for the sake of space-saving and simplicity. In textbooks of polymer science only extremely rough schemes of the theories and then the final equations are shown. As a consequence, the student cannot learn, unaided, the details of the theory in which he or she is interested from the existing textbooks; however, without a full understanding of the theory, one cannot analyze actual experimental data to obtain more basic and realistic physical quantities. In particular, if one intends to apply the theories in industry, accurate understanding and ability to modify the theory are essential.

Download or read book Concepts and Methods in Modern Theoretical Chemistry written by Swapan Kumar Ghosh and published by CRC Press. This book was released on 2019-09-23 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Concepts and Methods in Modern Theoretical Chemistry: Statistical Mechanics, the second book in a two-volume set, focuses on the dynamics of systems and phenomena. A new addition to the series Atoms, Molecules, and Clusters,this book offers chapters written by experts in their fields. It enables readers to learn how concepts from ab initioquantum chemistry and density functional theory (DFT) can be used to describe, understand, and predict chemical dynamics. This book covers a wide range of subjects, including discussions on the following topics: Time-dependent DFT Quantum fluid dynamics (QFD) Photodynamic control, nonlinear dynamics, and quantum hydrodynamics Molecules in a laser field, charge carrier mobility, and excitation energy transfer Mechanisms of chemical reactions Nucleation, quantum Brownian motion, and the third law of thermodynamics Transport properties of binary mixtures Although most of the chapters are written at a level that is accessible to a senior graduate student, experienced researchers will also find interesting new insights in these experts' perspectives. This book provides an invaluable resource toward understanding the whole gamut of atoms, molecules, and clusters.

Download or read book Thermal Decomposition of Ionic Solids written by A.K. Galwey and published by Elsevier. This book was released on 1999-02-25 with total page 626 pages. Available in PDF, EPUB and Kindle. Book excerpt: The principal objective of this book is to stimulate interest in research that will extend available theory towards a greater understanding of the steps involved in solid-state decompositions and the properties of solids that control reactivities. Much of the activity in this field has been directed towards increasing the range of reactants for which decomposition kinetic data is available, rather than extending insights into the fundamental chemistry of the reactions being studied. The first part of the book (Chapters 1-6) is concerned with theoretical aspects of the subject. The second part (Chapters 7-17) surveys groups of reactions classified by similarities of chemical composition. The final Chapter (18) reviews the subject by unifying features identified as significant and proposes possible directions for future progress.Studies of thermal reactions of ionic compounds have contributed considerably to the theory of solid-state chemistry. Furthermore, many of these rate processes have substantial technological importance, for example, in the manufacture of cement, the exploitation of ores and in the stability testing of drugs, explosives and oxidizing agents. Despite the prolonged and continuing research effort concerned with these reactions, there is no recent overall review. This book is intended to contribute towards correcting this omission. The essential unity of the subject is recognized by the systematic treatment of reactions, carefully selected to be instructive and representative of the subject as a whole. The authors have contributed more than 200 original research articles to the literature, many during their 25 years of collaboration.Features of this book:• Gives a comprehensive in-depth survey of a rarely-reviewed subject.• Reviews methods used in studies of thermal decompositions of solids.• Discusses patterns of subject development perceived from an extensive literature survey.This book is expected to be of greatest value and interest to scientists concerned with the chemical properties and reactions of solids, including chemists, physicists, pharmacists, material scientists, crystallographers, metallurgists and others. This wide coverage of the literature dealing with thermal reactions of solids will be of value to both academic and industrial researchers by reviewing the current status of the theory of the subject. It could also provide a useful starting point for the exploitation of crystalline materials in practical and industrial applications. The contents will also be relevant to a wide variety of researchers, including, for example, those concerned with the stabilities of polymers and composite materials, the processing of minerals, the shelf-lives of pharmaceuticals, etc.

Download or read book Theoretical Organic Chemistry written by C. Párkányi and published by Elsevier. This book was released on 1997-12-09 with total page 637 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume is devoted to the various aspects of theoretical organic chemistry. In the nineteenth century, organic chemistry was primarily an experimental, empirical science. Throughout the twentieth century, the emphasis has been continually shifting to a more theoretical approach. Today, theoretical organic chemistry is a distinct area of research, with strong links to theoretical physical chemistry, quantum chemistry, computational chemistry, and physical organic chemistry.The objective in this volume has been to provide a cross-section of a number of interesting topics in theoretical organic chemistry, starting with a detailed account of the historical development of this discipline and including topics devoted to quantum chemistry, physical properties of organic compounds, their reactivity, their biological activity, and their excited-state properties.

Download or read book Manual For Theoretical Chemistry written by Dmitry Matyushov and published by World Scientific. This book was released on 2020-12-23 with total page 373 pages. Available in PDF, EPUB and Kindle. Book excerpt: This study guide aims at explaining theoretical concepts encountered by practitioners applying theory to molecular science. This is a collection of short chapters, a manual, attempting to walk the reader through two types of topics: (i) those that are usually covered by standard texts but are difficult to grasp and (ii) topics not usually covered, but are essential for successful theoretical research. The main focus is on the latter. The philosophy of this book is not to cover a complete theory, but instead to provide a set of simple study cases helping to illustrate main concepts. The focus is on simplicity. Each section is made deliberately short, to enable the reader to easily grasp the contents. Sections are collated in themed chapters, and the advantage is that each section can be studied separately, as an introduction to more in-depth studies. Topics covered are related to elasticity, electrostatics, molecular dynamics and molecular spectroscopy, which form the foundation for many presently active research areas such as molecular biophysics and soft matter physics. The notes provide a uniform approach to all these areas, helping the reader to grasp the basic concepts from a common set of theoretical tools.

Download or read book Introduction to Theoretical Organic Chemistry and Molecular Modelling written by William B. Smith and published by Wiley-VCH. This book was released on 1996-07-11 with total page 216 pages. Available in PDF, EPUB and Kindle. Book excerpt: "Introduction to Theoretical Organic Chemistry" provides an introduction for chemists with a limited mathematical background, yet need a working understanding of quantum chemistry as applied to problems in organic chemistry. This book is unique in that it is written at the level of the advanced undergraduate or beginning graduate student in organic chemistry, whose exposure to theoretical chemistry is relatively recent. It fills a niche in that most books on theoretical organic chemistry are written by theoretical or computational chemists, whereas this book is written by an organic chemist. The book covers molecular modeling computer software, and offers a useful guide to the scope and limitations of each program, along with specific examples of input and output for several of the most popular software. Numerous examples and exercises are provided.

Download or read book Essentials of Computational Chemistry written by Christopher J. Cramer and published by John Wiley & Sons. This book was released on 2013-04-29 with total page 624 pages. Available in PDF, EPUB and Kindle. Book excerpt: Essentials of Computational Chemistry provides a balanced introduction to this dynamic subject. Suitable for both experimentalists and theorists, a wide range of samples and applications are included drawn from all key areas. The book carefully leads the reader thorough the necessary equations providing information explanations and reasoning where necessary and firmly placing each equation in context.