Physical Chemistry Series One Theoretical Chemistry

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Physical Chemistry: Experimental and Theoretical

Author : G. Van Praagh
Publisher : Cambridge University Press
ISBN 13 : 1107586275
Total Pages : 319 pages
Book Rating : 4.1/5 (75 download)

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Book Synopsis Physical Chemistry: Experimental and Theoretical by : G. Van Praagh

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.

An Introduction to Theoretical Chemistry

Author : Jack Simons
Publisher : Cambridge University Press
ISBN 13 : 9780521530477
Total Pages : 484 pages
Book Rating : 4.5/5 (34 download)

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Book Synopsis An Introduction to Theoretical Chemistry by : Jack Simons

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.

Modern Methods for Theoretical Physical Chemistry of Biopolymers

Author : Evgeni Starikov
Publisher : Elsevier
ISBN 13 : 0080461018
Total Pages : 605 pages
Book Rating : 4.0/5 (84 download)

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Book Synopsis Modern Methods for Theoretical Physical Chemistry of Biopolymers by : Evgeni Starikov

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

Mathematical Physics in Theoretical Chemistry

Author : S.M. Blinder
Publisher : Elsevier
ISBN 13 : 0128137010
Total Pages : 426 pages
Book Rating : 4.1/5 (281 download)

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Book Synopsis Mathematical Physics in Theoretical Chemistry by : S.M. Blinder

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

Radiation Chemistry

Author : C.D. Jonah
Publisher : Elsevier
ISBN 13 : 008054021X
Total Pages : 777 pages
Book Rating : 4.0/5 (85 download)

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Book Synopsis Radiation Chemistry by : C.D. Jonah

Download or read book Radiation Chemistry written by C.D. Jonah and published by Elsevier. This book was released on 2001-08-23 with total page 777 pages. Available in PDF, EPUB and Kindle. Book excerpt: During the twentieth century, radiation chemistry emerged as a multi-faceted field encompassing all areas of science. Radiation chemical techniques are becoming increasingly popular and are being routinely used not only by chemists but also by biologists, polymer scientists, etc. "Radiation Chemistry: Present Status and Future Trends" presents an overall view of the different aspects of the subject. The chapters review the current status of the field and present the future opportunities in utilizing radiation chemical techniques. This will be of interest to chemists in general and in particular to radiation chemists, chemical kineticists, photochemists, physical-organic chemists and spectroscopists. In view of the diverse nature of the field, the book is a multi-authored effort by several experts in their particular areas of research. Six main areas, both basic and applied, were identified and the book is organized around them. The topics were selected in terms of their relative importance and the contribution of radiation chemistry to the general areas of chemistry, biology and physics. The topics covered are as diverse as gas phase radiation chemistry, the use of radiation chemical techniques, the treatment of water pollutants, the chemical basis of radiation biology, and muonium chemistry. The book also contains an update of the next generation electron accelerators.

Essentials of Computational Chemistry

Author : Christopher J. Cramer
Publisher : John Wiley & Sons
ISBN 13 : 1118712277
Total Pages : 624 pages
Book Rating : 4.1/5 (187 download)

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Book Synopsis Essentials of Computational Chemistry by : Christopher J. Cramer

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.

Introduction to Computational Physical Chemistry

Author : Joshua Schrier
Publisher : University Science Books
ISBN 13 : 9781938787904
Total Pages : 0 pages
Book Rating : 4.7/5 (879 download)

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Book Synopsis Introduction to Computational Physical Chemistry by : Joshua Schrier

Download or read book Introduction to Computational Physical Chemistry written by Joshua Schrier and published by University Science Books. This book was released on 2017-06-16 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book will revolutionize the way physical chemistry is taught by bridging the gap between the traditional "solve a bunch of equations for a very simple model" approach and the computational methods that are used to solve research problems. While some recent textbooks include exercises using pre-packaged Hartree-Fock/DFT calculations, this is largely limited to giving students a proverbial black box. The DIY (do-it-yourself) approach taken in this book helps student gain understanding by building their own simulations from scratch. The reader of this book should come away with the ability to apply and adapt these techniques in computational chemistry to his or her own research problems, and have an enhanced ability to critically evaluate other computational results. This book is mainly intended to be used in conjunction with an existing physical chemistry text, but it is also well suited as a stand-alone text for upper level undergraduate or intro graduate computational chemistry courses.

Theory and Applications of Computational Chemistry

Author : Clifford Dykstra
Publisher : Elsevier
ISBN 13 : 0080456243
Total Pages : 1336 pages
Book Rating : 4.0/5 (84 download)

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Book Synopsis Theory and Applications of Computational Chemistry by : Clifford Dykstra

Download or read book Theory and Applications of Computational Chemistry written by Clifford Dykstra and published by Elsevier. This book was released on 2011-10-13 with total page 1336 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational chemistry is a means of applying theoretical ideas using computers and a set of techniques for investigating chemical problems within which common questions vary from molecular geometry to the physical properties of substances. Theory and Applications of Computational Chemistry: The First Forty Years is a collection of articles on the emergence of computational chemistry. It shows the enormous breadth of theoretical and computational chemistry today and establishes how theory and computation have become increasingly linked as methodologies and technologies have advanced. Written by the pioneers in the field, the book presents historical perspectives and insights into the subject, and addresses new and current methods, as well as problems and applications in theoretical and computational chemistry. Easy to read and packed with personal insights, technical and classical information, this book provides the perfect introduction for graduate students beginning research in this area. It also provides very readable and useful reviews for theoretical chemists.* Written by well-known leading experts * Combines history, personal accounts, and theory to explain much of the field of theoretical and compuational chemistry* Is the perfect introduction to the field

Computational Quantum Chemistry

Author : Joseph J W McDouall
Publisher : Royal Society of Chemistry
ISBN 13 : 1782625860
Total Pages : 252 pages
Book Rating : 4.7/5 (826 download)

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Book Synopsis Computational Quantum Chemistry by : Joseph J W McDouall

Download or read book Computational Quantum Chemistry written by Joseph J W McDouall and published by Royal Society of Chemistry. This book was released on 2015-11-09 with total page 252 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational Quantum Chemistry presents computational electronic structure theory as practised in terms of ab initio waveform methods and density functional approaches. Getting a full grasp of the field can often prove difficult, since essential topics fall outside of the scope of conventional chemistry education. This professional reference book provides a comprehensive introduction to the field. Postgraduate students and experienced researchers alike will appreciate Joseph McDouall's engaging writing style. The book is divided into five chapters, each providing a major aspect of the field. Electronic structure methods, the computation of molecular properties, methods for analysing the output from computations and the importance of relativistic effects on molecular properties are also discussed. Links to the websites of widely used software packages are provided so that the reader can gain first hand experience of using the techniques described in the book.

Thermal Decomposition of Ionic Solids

Author : A.K. Galwey
Publisher : Elsevier
ISBN 13 : 0080542794
Total Pages : 626 pages
Book Rating : 4.0/5 (85 download)

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Book Synopsis Thermal Decomposition of Ionic Solids by : A.K. Galwey

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.

Theoretical Methods in Condensed Phase Chemistry

Author : S.D. Schwartz
Publisher : Springer Science & Business Media
ISBN 13 : 0306469499
Total Pages : 314 pages
Book Rating : 4.3/5 (64 download)

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Book Synopsis Theoretical Methods in Condensed Phase Chemistry by : S.D. Schwartz

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.

Chemical Physics and Quantum Chemistry

Author :
Publisher : Academic Press
ISBN 13 : 0128197587
Total Pages : 350 pages
Book Rating : 4.1/5 (281 download)

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Book Synopsis Chemical Physics and Quantum Chemistry by :

Download or read book Chemical Physics and Quantum Chemistry written by and published by Academic Press. This book was released on 2020-09-18 with total page 350 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Quantum Chemistry presents surveys of current topics in this rapidly developing field one that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology. It features detailed reviews written by leading international researchers. In this volume the readers are presented with an exciting combination of themes. - Presents surveys of current topics in this rapidly-developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry and biology - Features detailed reviews written by leading international researchers - Topics include: New advances in Quantum Chemical Physics; Original theory and a contemporary overview of the field of Theoretical Chemical Physics; State-of-the-Art calculations in Theoretical Chemistry

Introduction to Theoretical Organic Chemistry and Molecular Modelling

Author : William B. Smith
Publisher : Wiley-VCH
ISBN 13 :
Total Pages : 216 pages
Book Rating : 4.0/5 ( download)

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Book Synopsis Introduction to Theoretical Organic Chemistry and Molecular Modelling by : William B. Smith

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.

Theoretical Models and Experimental Approaches in Physical Chemistry

Author : A. K. Haghi
Publisher : CRC Press
ISBN 13 : 1351592661
Total Pages : 403 pages
Book Rating : 4.3/5 (515 download)

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Book Synopsis Theoretical Models and Experimental Approaches in Physical Chemistry by : A. K. Haghi

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.

Chemistry, Quantum Mechanics and Reductionism

Author : H. Primas
Publisher : Springer Science & Business Media
ISBN 13 : 3662113147
Total Pages : 468 pages
Book Rating : 4.6/5 (621 download)

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Book Synopsis Chemistry, Quantum Mechanics and Reductionism by : H. Primas

Download or read book Chemistry, Quantum Mechanics and Reductionism written by H. Primas and published by Springer Science & Business Media. This book was released on 2013-11-11 with total page 468 pages. Available in PDF, EPUB and Kindle. Book excerpt: The purpose of this book is to provide a deeper insight into the modern theories of molecular matter. It incorporates the most important developments which have taken place during the last decades and reflects the modern trend to abstraction. At the present state of the art we have acquired a fairly good knowledge of "how to. compute" small molecules us ing the methods of quantum chemistry. Yet, in spite of many statements to the contrary and many superficial discussions, the theoretical basis of chemistry and biology is not safely in our hands. It is all but impossible to summarize the modern developments of the theory of matter in nontechnical language. But I hope that I can give some feeling for the problems, the intellectual excitements and the wor ries of some theoreticians. I know very well that such an enterprise is a dangerous adventure and that one says that a clever scientist should take care of his reputation by barricading himself behind the safe wall of his speciality. This volume is not meant to be a textbook; in many respects it has complementary goals. For good and bad reasons, most textbooks ignore the historical and philosophical aspects and go ahead on the basis of crude simplifications; many even lie like the devil and do not shrink from naive indoctrination. Some sections of this book can be read as commentaries on our standard texts, they are intended to stir the waters with controversy.

Theoretical Chemistry for Experimental Chemists

Author : Kazuyoshi Tanaka
Publisher : Springer Nature
ISBN 13 : 9811571953
Total Pages : 201 pages
Book Rating : 4.8/5 (115 download)

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Book Synopsis Theoretical Chemistry for Experimental Chemists by : Kazuyoshi Tanaka

Download or read book Theoretical Chemistry for Experimental Chemists written by Kazuyoshi Tanaka and published by Springer Nature. This book was released on 2020-08-28 with total page 201 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents active application aspects of theoretical chemistry, and is particularly intended for experimental chemists, ranging from graduate students to more professional researchers, who are developing new materials or searching for novel properties of the materials they work with. It not only addresses the fundamental aspects of theoretical chemistry but also provides abundant examples of applications based on the electronic structure analyses of actual systems. As the book demonstrates, these analyses can deepen our understanding of a variety of chemical phenomena, including the chemical reactivities and electronic properties of substances, in a bottom-up manner. By illustrating how electronic structure analyses can be effectively applied, the book introduces readers to the impressive potential of theoretical chemistry, which they can adapt for their own purposes, and without having to suffer through a parade of complex formulae.

Advances in Methods and Applications of Quantum Systems in Chemistry, Physics, and Biology

Author : Alexander V. Glushkov
Publisher : Springer Nature
ISBN 13 : 3030683141
Total Pages : 358 pages
Book Rating : 4.0/5 (36 download)

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Book Synopsis Advances in Methods and Applications of Quantum Systems in Chemistry, Physics, and Biology by : Alexander V. Glushkov

Download or read book Advances in Methods and Applications of Quantum Systems in Chemistry, Physics, and Biology written by Alexander V. Glushkov and published by Springer Nature. This book was released on 2021-06-29 with total page 358 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book reviews the most significant advances in concepts, methods, and applications of quantum systems in a broad variety of problems in modern chemistry, physics, and biology. In particular, it discusses atomic, molecular, and solid structure, dynamics and spectroscopy, relativistic and correlation effects in quantum chemistry, topics of computational chemistry, physics and biology, as well as applications of theoretical chemistry and physics in advanced molecular and nano-materials and biochemical systems. The book contains peer-reviewed contributions written by leading experts in the fields and based on the presentations given at the Twenty-Fourth International Workshop on Quantum Systems in Chemistry, Physics, and Biology held in Odessa, Ukraine, in August 2019. This book is aimed at advanced graduate students, academics, and researchers, both in university and corporation laboratories, interested in state-of-the-art and novel trends in quantum chemistry, physics, biology, and their applications.