Chemical Dynamics in Condensed Phases

Relaxation, Transfer and Reactions in Condensed Molecular Systems

Author: Abraham Nitzan

Publisher: Oxford University Press

ISBN: 9780198529798

Category: Science

Page: 719

View: 6625

Graduate level textbook presenting some of the most fundamental processes that underlie physical, chemical and biological phenomena in complex condensed phase systems. Includes in-depth descriptions of relevant methodologies, and provides ample introductory material for readers of different backgrounds.

Chemical Dynamics in Condensed Phases

Relaxation, Transfer and Reactions in Condensed Molecular Systems

Author: Abraham Nitzan

Publisher: Oxford University Press

ISBN: 0198529791

Category: Science

Page: 719

View: 8746

Graduate level textbook presenting some of the most fundamental processes that underlie physical, chemical and biological phenomena in complex condensed phase systems. Includes in-depth descriptions of relevant methodologies, and provides ample introductory material for readers of different backgrounds.

Chemical Dynamics in Condensed Phases

Relaxation, Transfer, and Reactions in Condensed Molecular Systems

Author: Abraham Nitzan

Publisher: OUP Oxford

ISBN: 9780199686681

Category: Science

Page: 744

View: 3178

Graduate level textbook presenting some of the most fundamental processes that underlie physical, chemical, and biological phenomena in complex condensed phase systems. Includes in-depth descriptions of relevant methodologies, and provides ample introductory material for readers of different backgrounds.

Quantum Mechanics in Chemistry

Author: George C. Schatz,Mark A. Ratner

Publisher: Courier Corporation

ISBN: 0486136728

Category: Science

Page: 384

View: 3651

Advanced graduate-level text looks at symmetry, rotations, and angular momentum addition; occupation number representations; and scattering theory. Uses concepts to develop basic theories of chemical reaction rates. Problems and answers.

Density-Functional Theory of Atoms and Molecules

Author: Robert G. Parr,Weitao Yang

Publisher: OUP USA

ISBN: 0195092767

Category: Political Science

Page: 333

View: 1329

Provides an account of the fundamental principles of the density-functional theory of the electronic structure of matter and its applications to atoms and molecules. This book contains a discussion of the chemical potential and its derivatives. It is intended for physicists, chemists, and advanced students in chemistry.

Molecular Modeling of Geochemical Reactions

An Introduction

Author: James D. Kubicki

Publisher: John Wiley & Sons

ISBN: 111884520X

Category: Science

Page: 440

View: 6323

Molecular processes in nature affect human health, the availability of resources and the Earth’s climate. Molecular modelling is a powerful and versatile toolbox that complements experimental data and provides insights where direct observation is not currently possible. Molecular Modeling of Geochemical Reactions: An Introduction applies computational chemistry to geochemical problems. Chapters focus on geochemical applications in aqueous, petroleum, organic, environmental, bio- and isotope geochemistry, covering the fundamental theory, practical guidance on applying techniques, and extensive literature reviews in numerous geochemical sub-disciplines. Topics covered include: • Theory and Methods of Computational Chemistry • Force Field Application and Development • Computational Spectroscopy • Thermodynamics • Structure Determination • Geochemical Kinetics This book will be of interest to graduate students and researchers looking to understand geochemical processes on a molecular level. Novice practitioners of molecular modelling, experienced computational chemists, and experimentalists seeking to understand this field will all find information and knowledge of use in their research.

Introduction to Quantum Mechanics

Author: David J. Tannor

Publisher: University Science Books

ISBN: 9781891389993

Category: Science

Page: 600

View: 2201

Introduction to Quantum Mechanics covers quantum mechanics from a time-dependent perspective in a unified way from beginning to end. Intended for upper-level undergraduate and graduate courses this text will change the way people think about and teach quantum mechanics in chemistry and physics departments.

Brownian Dynamics at Boundaries and Interfaces

In Physics, Chemistry, and Biology

Author: Zeev Schuss

Publisher: Springer Science & Business Media

ISBN: 1461476879

Category: Mathematics

Page: 322

View: 5951

Brownian dynamics serve as mathematical models for the diffusive motion of microscopic particles of various shapes in gaseous, liquid, or solid environments. The renewed interest in Brownian dynamics is due primarily to their key role in molecular and cellular biophysics: diffusion of ions and molecules is the driver of all life. Brownian dynamics simulations are the numerical realizations of stochastic differential equations that model the functions of biological micro devices such as protein ionic channels of biological membranes, cardiac myocytes, neuronal synapses, and many more. Stochastic differential equations are ubiquitous models in computational physics, chemistry, biophysics, computer science, communications theory, mathematical finance theory, and many other disciplines. Brownian dynamics simulations of the random motion of particles, be it molecules or stock prices, give rise to mathematical problems that neither the kinetic theory of Maxwell and Boltzmann, nor Einstein’s and Langevin’s theories of Brownian motion could predict. This book takes the readers on a journey that starts with the rigorous definition of mathematical Brownian motion, and ends with the explicit solution of a series of complex problems that have immediate applications. It is aimed at applied mathematicians, physicists, theoretical chemists, and physiologists who are interested in modeling, analysis, and simulation of micro devices of microbiology. The book contains exercises and worked out examples throughout.

The student's lab companion

laboratory techniques for organic chemistry : standard scale and microscale

Author: John W. Lehman

Publisher: Pearson College Div


Category: Science

Page: 388

View: 2666

This comprehensive lab companion provides a thorough introduction to all of the significant operations used in the organic lab, for both traditional-scale and microscale applications. It includes enough theory to help students understand how and why an operation works, but emphasizes the practical aspects of an operation to help them perform the operation successfully in the lab. lab.Makes substantive revisions of many operations to clarify existing material and add new information. Emphasizes environmentally friendly (i.e. green ) lab experiments. Adds a new section on Chemistry and the Environment.A useful guide for chemists and other professionals who do laboratory work in the scientific fields.

The Defect Chemistry of Metal Oxides

Author: Donald Morgan Smyth

Publisher: Oxford University Press on Demand

ISBN: 9780195110142

Category: Science

Page: 294

View: 9946

The Defect Chemistry of Metal Oxides is a unique introduction to the equilibrium chemistry of solid inorganic compounds with a focus on metal oxides. Accessible to students with little or no background in defect chemistry, it explains how to apply basic principles and interpret the related behavior of materials. It distinctly emphasizes the correlation between the general chemical properties of the constituent elements and the defect chemistry andtransport properties of their compounds. It covers the types of defects formed, the effects of dopants, the amount and direction of nonstoichiometry, and the depths of acceptor and donor levels. Suitable for a variety of courses in materials science and engineering, chemistry, and geochemistry, it also serves as avaluable reference for researchers and instructors.

Intermolecular and Surface Forces

Author: Jacob N. Israelachvili

Publisher: Academic Press

ISBN: 9780080923635

Category: Science

Page: 710

View: 877

This reference describes the role of various intermolecular and interparticle forces in determining the properties of simple systems such as gases, liquids and solids, with a special focus on more complex colloidal, polymeric and biological systems. The book provides a thorough foundation in theories and concepts of intermolecular forces, allowing researchers and students to recognize which forces are important in any particular system, as well as how to control these forces. This third edition is expanded into three sections and contains five new chapters over the previous edition. · starts from the basics and builds up to more complex systems · covers all aspects of intermolecular and interparticle forces both at the fundamental and applied levels · multidisciplinary approach: bringing together and unifying phenomena from different fields · This new edition has an expanded Part III and new chapters on non-equilibrium (dynamic) interactions, and tribology (friction forces)

Chemical Kinetics

From Molecular Structure to Chemical Reactivity

Author: Luis G Arnaut,Sebastiao Jose Formosinho,Hugh Burrows

Publisher: Elsevier

ISBN: 9780080469348

Category: Science

Page: 562

View: 5121

Chemical Kinetics bridges the gap between beginner and specialist with a path that leads the reader from the phenomenological approach to the rates of chemical reactions to the state-of-the-art calculation of the rate constants of the most prevalent reactions: atom transfers, catalysis, proton transfers, substitution reactions, energy transfers and electron transfers. For the beginner provides the basics: the simplest concepts, the fundamental experiments, and the underlying theories. For the specialist shows where sophisticated experimental and theoretical methods combine to offer a panorama of time-dependent molecular phenomena connected by a new rational. Chemical Kinetics goes far beyond the qualitative description: with the guidance of theory, the path becomes a reaction path that can actually be inspected and calculated. But Chemical Kinetics is more about structure and reactivity than numbers and calculations. A great emphasis in the clarity of the concepts is achieved by illustrating all the theories and mechanisms with recent examples, some of them described with sufficient detail and simplicity to be used in general chemistry and lab courses. * Looking at atoms and molecules, and how molecular structures change with time. * Providing practical examples and detailed theoretical calculations * Of special interest to Industrial Chemistry and Biochemistry

A Guide to Monte Carlo Simulations in Statistical Physics

Author: David P. Landau,Kurt Binder

Publisher: Cambridge University Press

ISBN: 1316062635

Category: Science

Page: N.A

View: 8506

Dealing with all aspects of Monte Carlo simulation of complex physical systems encountered in condensed-matter physics and statistical mechanics, this book provides an introduction to computer simulations in physics. This fourth edition contains extensive new material describing numerous powerful algorithms not covered in previous editions, in some cases representing new developments that have only recently appeared. Older methodologies whose impact was previously unclear or unappreciated are also introduced, in addition to many small revisions that bring the text and cited literature up to date. This edition also introduces the use of petascale computing facilities in the Monte Carlo arena. Throughout the book there are many applications, examples, recipes, case studies, and exercises to help the reader understand the material. It is ideal for graduate students and researchers, both in academia and industry, who want to learn techniques that have become a third tool of physical science, complementing experiment and analytical theory.

Commercial Law

Text, Cases, and Materials

Author: M. A. Clarke,R. J. A. Hooley,R. J. C. Munday,A. M. Tettenborn,L. S. Sealy,P.G. Turner

Publisher: Oxford University Press

ISBN: 0199692084

Category: Law

Page: 1264

View: 4362

Commercial Law: Text, Cases, and Materials provides students with an extensive and valuable range of extracts from key cases and writings in this most dynamic field of law. The authors' expert commentary and questions enliven each topic while emphasizing the practical application of the law in its business context. Len Sealy and Richard Hooley have been joined by four renowned experts in the field for the preparation of this edition. The authors have captured the essence of this fascinating topic at a time of significant legislative, regulatory, and political change.

Chemical engineering design

principles, practice and economics of plant and process design

Author: Gavin P. Towler,R. K. Sinnott

Publisher: Butterworth-Heinemann


Category: Technology & Engineering

Page: 1245

View: 1299

"Bottom line: For a holistic view of chemical engineering design, this book provides as much, if not more, than any other book available on the topic." --Extract from Chemical Engineering Resources review. Chemical Engineering Design is one of the best-known and widely adopted texts available for students of chemical engineering. It deals with the application of chemical engineering principles to the design of chemical processes and equipment. Revised throughout, this US edition has been specifically developed for the US market. It covers the latest aspects of process design, operations, safety, loss prevention and equipment selection, among others. Comprehensive in coverage, exhaustive in detail, it is supported by extensive problems and a separate solutions manual for adopting tutors and lecturers. In addition, the book is widely used by professions as a day-to-day reference.

Statistical Mechanics: Theory and Molecular Simulation

Author: Mark Tuckerman

Publisher: OUP Oxford

ISBN: 9780191523465

Category: Science

Page: 720

View: 2910

Complex systems that bridge the traditional disciplines of physics, chemistry, biology, and materials science can be studied at an unprecedented level of detail using increasingly sophisticated theoretical methodology and high-speed computers. The aim of this book is to prepare burgeoning users and developers to become active participants in this exciting and rapidly advancing research area by uniting for the first time, in one monograph, the basic concepts of equilibrium and time-dependent statistical mechanics with the modern techniques used to solve the complex problems that arise in real-world applications. The book contains a detailed review of classical and quantum mechanics, in-depth discussions of the most commonly used ensembles simultaneously with modern computational techniques such as molecular dynamics and Monte Carlo, and important topics including free-energy calculations, linear-response theory, harmonic baths and the generalized Langevin equation, critical phenomena, and advanced conformational sampling methods. Burgeoning users and developers are thus provided firm grounding to become active participants in this exciting and rapidly advancing research area, while experienced practitioners will find the book to be a useful reference tool for the field.

Quantum dynamics

applications in biological and materials systems

Author: Eric R. Bittner

Publisher: CRC

ISBN: 9781420080537

Category: Science

Page: 322

View: 3863

Even though time-dependent spectroscopic techniques continue to push the frontier of chemical physics, they receive scant mention in introductory courses as they are poorly covered in standard texts. This text bridges the gap between what is traditionally taught in a one-semester quantum chemistry course and the modern field of chemical dynamics. It provides needed background in quantum mechanics and then discusses theory and a number of applications that are of current interest, from molecular electronics to photosynthesis. Written in a pedagogic style, it details needed computational components and sample calculations using Mathematica.

Geochemical Kinetics

Author: Youxue Zhang

Publisher: Princeton University Press

ISBN: 9780691124322

Category: Science

Page: 631

View: 5355

This book offers a comprehensive exploration of geochemical kinetics--the application of chemical kinetics to geological problems, both theoretical and practical. Geochemical Kinetics balances the basic theories of chemical kinetics with a thorough examination of advanced theories developed by geochemists, such as nonisothermal kinetics and inverse theories, including geochronology (isotopic dating), thermochronology (temperature-time history), and geospeedometry (cooling rates). The first chapter provides an introduction and overview of the whole field at an elementary level, and the subsequent chapters develop theories and applications for homogeneous reactions, mass and heat transfer, heterogeneous reactions, and inverse problems. Most of the book's examples are from high-temperature geochemistry, with a few from astronomy and environmental sciences. Appendixes, homework problems for each major section, and a lengthy reference list are also provided. Readers should have knowledge of basic differential equations, some linear algebra, and thermodynamics at the level of an undergraduate physical chemistry course. Geochemical Kinetics is a valuable resource for anyone interested in the mathematical treatment of geochemical questions.

Coarse-Graining of Condensed Phase and Biomolecular Systems

Author: Gregory A. Voth

Publisher: CRC Press

ISBN: 9781420059564

Category: Science

Page: 456

View: 368

Exploring recent developments in the field, Coarse-Graining of Condensed Phase and Biomolecular Systems examines systematic ways of constructing coarse-grained representations for complex systems. It explains how this approach can be used in the simulation and modeling of condensed phase and biomolecular systems. Each chapter focuses on specific examples of evolving coarse-graining methodologies and presents results for a variety of complex systems. The contributors carefully detail their own coarse-graining approach, exploring its motivation, strengths, weaknesses, and important application examples. They discuss two of the most successful coarse-graining schemes for soft matter: inverse and multiscale coarse-graining. The book also describes current coarse-grained model development for peptides and proteins at the amino acid level and larger length scales. Assembling the work of some of the most influential, world-renowned researchers in the field, this book provides a unified, in-depth overview of all the coarse-grained schemes developed for condensed phase and biomolecular systems. It shows the promise of coarse-graining as a revolutionary advancement in the scientific community.