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

Download or read book Introduction to Chemistry written by Morris Hein and published by . This book was released on 2011 with total page 736 pages. Available in PDF, EPUB and Kindle. Book excerpt: Learning the fundamentals of chemistry can be a difficult task to undertake for health professionals. For over 35 years, this book has helped them master the chemistry skills they need to succeed. It provides them with clear and logical explanations of chemical concepts and problem solving.

Download or read book A Textbook of Physical Chemistry written by Arthur Adamson and published by Elsevier. This book was released on 2012-12-02 with total page 1006 pages. Available in PDF, EPUB and Kindle. Book excerpt: A Textbook of Physical Chemistry, Second Edition serves as an introductory text to physical chemistry. Topics covered range from wave mechanics and chemical bonding to molecular spectroscopy and photochemistry; ideal and nonideal gases; the three laws of thermodynamics; thermochemistry; and solutions of nonelectrolytes. The kinetics of gas-phase reactions; colloids and macromolecules; and nuclear chemistry and radiochemistry are also discussed. This edition is comprised of 22 chapters; the first of which introduces the reader to the behavior of ideal and nonideal gases, with particular emphasis on the van der Waals equation. The discussion then turns to the kinetic molecular theory of gases and the application of the Boltzmann principle to the treatment of molar polarization; dipole and magnetic moments; the phenomenology of light absorption; and classical and statistical thermodynamics. The chapters that follow focus on the traditional sequence of chemical and phase equilibria, electrochemistry, and chemical kinetics in gas phase and solution phase. This book also considers wave mechanics and its applications; molecular spectroscopy and photochemistry; and the excited state, and then concludes with an analysis of crystal structure, colloid and polymer chemistry, and radio and nuclear chemistry. This reference material is intended primarily as an introductory text for students of physical chemistry.

Download or read book Modern Quantum Chemistry written by Attila Szabo and published by Courier Corporation. This book was released on 2012-06-08 with total page 484 pages. Available in PDF, EPUB and Kindle. Book excerpt: This graduate-level text explains the modern in-depth approaches to the calculation of electronic structure and the properties of molecules. Largely self-contained, it features more than 150 exercises. 1989 edition.

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.

Download or read book Physical Chemistry for the Biological Sciences written by Gordon G. Hammes and published by John Wiley & Sons. This book was released on 2015-04-10 with total page 504 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides an introduction to physical chemistry that is directed toward applications to the biological sciences. Advanced mathematics is not required. This book can be used for either a one semester or two semester course, and as a reference volume by students and faculty in the biological sciences.

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 The Physical Basis of Chemistry written by Warren S. Warren and published by Elsevier. This book was released on 2013-10-22 with total page 183 pages. Available in PDF, EPUB and Kindle. Book excerpt: If the descriptive text youre using for teaching general chemistry seems to lack sufficient mathematics and physics to make the results of its presentation of classical mechanics, molecular structure, and statisticsunderstandable, youre not alone. Written to provide supplemental and mathematically challenging topics for the advanced lower-division undergraduate chemistry course, or the non-major, junior-level physical chemistry course, The Physical Basis of Chemistry will offer your students an opportunity to explore quantum mechanics, the Boltzmann distribution, and spectroscopy in a refreshingly compelling way.Posed and answered are questions concerning everyday phenomena: How can two discharging shotguns and two stereo speakers be used to contrast particles and waves? Why does a collision between one atom of gas and the wall of its container transfer momentum but not much energy? How does a microwave oven work? Why does carbon dioxide production heat the earth? Why are leaves green, water blue, and how do the eyes detect the difference? Unlike other texts on this subject, however, The Physical Basis of Chemistry deals directly with the substance of these questions, avoiding the use of predigested material more appropriate for memorization exercises than for actual concrete learning. The only prerequisite is first-semester calculus, or familiarity withderivatives of one variable.Provides a concise, logical introduction to physical chemistryFeatures carefully worked-out sample problems at the end of each chapterIncludes more detailed and clearly explained coverage of quantum mechanics and statistics than found in other textsAvailable in an affordable paperback editionDesigned specifically as a supplementary text for advanced/honors chemistry coursesUses SI units throughout

Download or read book The Basics of Theoretical and Computational Chemistry written by Bernd Michael Rode and published by Wiley-VCH. This book was released on 2007-03-12 with total page 195 pages. Available in PDF, EPUB and Kindle. Book excerpt: This textbook does away with the classic, unimaginative approach and comes straight to the point with a bare minimum of mathematics -- emphasizing the understanding of concepts rather than presenting endless strings of formulae. It nonetheless covers all important aspects of computational chemistry, such as - vector space theory - quantum mechanics - approximation methods - theoretical models - and computational methods. Throughout the chapters, mathematics are differentiated by necessity for understanding - fundamental formulae, and all the others. All formulae are explained step by step without omission, but the non-vital ones are marked and can be skipped by those who do not relish complex mathematics. The reader will find the text a lucid and innovative introduction to theoretical and computational chemistry, with food for thought given at the end of each chapter in the shape of several questions that help develop understanding of the concepts. What the reader will not find in this book are condescending sentences such as, 'From (formula A) and (formula M) it is obvious that (formula Z).'

Download or read book Organic Chemistry written by Pierre Vogel and published by John Wiley & Sons. This book was released on 2019-10-07 with total page 1386 pages. Available in PDF, EPUB and Kindle. Book excerpt: Provides the background, tools, and models required to understand organic synthesis and plan chemical reactions more efficiently Knowledge of physical chemistry is essential for achieving successful chemical reactions in organic chemistry. Chemists must be competent in a range of areas to understand organic synthesis. Organic Chemistry provides the methods, models, and tools necessary to fully comprehend organic reactions. Written by two internationally recognized experts in the field, this much-needed textbook fills a gap in current literature on physical organic chemistry. Rigorous yet straightforward chapters first examine chemical equilibria, thermodynamics, reaction rates and mechanisms, and molecular orbital theory, providing readers with a strong foundation in physical organic chemistry. Subsequent chapters demonstrate various reactions involving organic, organometallic, and biochemical reactants and catalysts. Throughout the text, numerous questions and exercises, over 800 in total, help readers strengthen their comprehension of the subject and highlight key points of learning. The companion Organic Chemistry Workbook contains complete references and answers to every question in this text. A much-needed resource for students and working chemists alike, this text: -Presents models that establish if a reaction is possible, estimate how long it will take, and determine its properties -Describes reactions with broad practical value in synthesis and biology, such as C-C-coupling reactions, pericyclic reactions, and catalytic reactions -Enables readers to plan chemical reactions more efficiently -Features clear illustrations, figures, and tables -With a Foreword by Nobel Prize Laureate Robert H. Grubbs Organic Chemistry: Theory, Reactivity, and Mechanisms in Modern Synthesis is an ideal textbook for students and instructors of chemistry, and a valuable work of reference for organic chemists, physical chemists, and chemical engineers.

Download or read book Molecular Collision Theory written by M. S. Child and published by Courier Corporation. This book was released on 2014-08-11 with total page 326 pages. Available in PDF, EPUB and Kindle. Book excerpt: This high-level monograph offers an excellent introduction to the theory required for interpretation of an increasingly sophisticated range of molecular scattering experiments. There are five helpful appendixes dealing with continuum wavefunctions, Green's functions, semi-classical connection formulae, curve-crossing in the momentum representation, and elements of classical mechanics. The contents of this volume have been chosen to emphasize the quantum mechanical and semi-classical nature of collision events, with little attention given to purely classical behavior. The treatment is essentially analytical. Some knowledge of the quantum mechanics of bound states is assumed.

Download or read book Relativistic Quantum Chemistry written by Markus Reiher and published by John Wiley & Sons. This book was released on 2009-05-13 with total page 692 pages. Available in PDF, EPUB and Kindle. Book excerpt: Written by two researchers in the field, this book is a reference to explain the principles and fundamentals in a self-contained, complete and consistent way. Much attention is paid to the didactical value, with the chapters interconnected and based on each other. From the contents: * Fundamentals * Relativistic Theory of a Free Electron: Diracï¿1⁄2s Equation * Dirac Theory of a Single Electron in a Central Potential * Many-Electron Theory I: Quantum Electrodynamics * Many-Electron Theory II: Dirac-Hartree-Fock Theory * Elimination of the Small Component * Unitary Transformation Schemes * Relativistic Density Functional Theory * Physical Observables and Molecular Properties * Interpretive Approach to Relativistic Quantum Chemistry From beginning to end, the authors deduce all the concepts and rules, such that readers are able to understand the fundamentals and principles behind the theory. Essential reading for theoretical chemists and physicists.

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.

Download or read book Photochemistry written by Maurizio Persico and published by Springer. This book was released on 2018-05-04 with total page 267 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book offers an introduction to photochemistry for students with a minimal background in physical chemistry and molecular quantum mechanics. The focus is from a theoretical perspective and highlights excited state dynamics. The authors, experienced lecturers, describe the main concepts in photochemical and photophysical processes that are used as a basis to interpret classical steady-state experimental results (essentially product branching ratios and quantum yields) and the most advanced time-resolved techniques. A significant portion of the content is devoted to the computational techniques present in quantum chemistry and molecular dynamics.With its short summaries, questions and exercises, this book is aimed at graduate students, while its theoretical focus differentiates it from most introductory textbooks on photochemistry.

Download or read book Introduction to Quantum Mechanics with Applications to Chemistry written by Linus Pauling and published by Courier Corporation. This book was released on 2012-06-08 with total page 500 pages. Available in PDF, EPUB and Kindle. Book excerpt: Classic undergraduate text explores wave functions for the hydrogen atom, perturbation theory, the Pauli exclusion principle, and the structure of simple and complex molecules. Numerous tables and figures.

Download or read book Liquids Solutions and Interfaces written by W. Ronald Fawcett and published by Oxford University Press. This book was released on 2004-07-01 with total page 638 pages. Available in PDF, EPUB and Kindle. Book excerpt: Fifty years ago solution chemistry occupied a major fraction of physical chemistry textbooks, and dealt mainly with classical thermodynamics, phase equilibria, and non-equilibrium phenomena, especially those related to electrochemistry. Much has happened in the intervening period, with tremendous advances in theory and the development of important new experimental techniques. This book brings the reader through the developments from classical macroscopic descriptions to more modern microscopic details.

Download or read book Eight Lectures on Theoretical Physics written by Max Planck and published by Courier Corporation. This book was released on 2012-07-06 with total page 180 pages. Available in PDF, EPUB and Kindle. Book excerpt: Landmark lectures (1909) by Nobel Prize winner deal with application of quantum hypothesis to blackbody radiation, principle of least action, relativity theory, and more. 1915 edition.