The aim of this graduate-level textbook is to present and explain, at other than a superficial level, modem ab initio approaches to the calculation of the electronic structure and properties of molecules. The first three chapters contain introductory material culminating in a thorough discussion of the Hartree-Fock approximation.The remaining four chapters describe a variety of more sophisticated approaches, which improve upon this approximation.
Among the highlights of the seven chapters are (1) a review of the mathematics (mostly matrix algebra) required for the rest of the book, (2) an introduction to the basic techniques, ideas, and notations of quantum chemistry, (3) a thorough discussion of the Hartree-Fock approximation, (4) a treatment of configuration interaction (Cl) and approaches incorporating electron correlation, (5) a description of the independent electron pair approximation and a variety of more sophisticated approaches that incorporate coupling between pairs, (6) a consideration of the perturbative approach to the calculation of the correlation energy of many-electron systems and (7) a brief introduction to the use of the one-particle many-body Green's function in quantum chemistry.
Over 150 exercises, designed to help the reader acquire a working knowledge of the material, are embedded in the text. The book is largely self-contained and requires no prerequisite other than a solid undergraduate physical chemistry course; however, some exposure to quantum chemistry will enhance the student's appreciation of the material. Clear and well-written, this text is ideal for the second semester of a two-semester course in quantum chemistry, or for a special topics course.

Atkins' Physical Chemistry is widely acknowledged by students and lecturers around the globe to be the textbook of choice for studying physical chemistry.

The exceptional quality of previous editions has been built upon to make the twelfth edition of Atkins' Physical Chemistry even more closely suited to the needs of both lecturers and students. The writing style has been refreshed in collaboration with current students of physical chemistry in order to retain the clarity for which the book is recognized while mirroring the way that students read and engage with information.

The new edition is now available as an enhanced e-Book, which offers a richer, more dynamic learning experience. It does this by incorporating digital enhancements that are carefully curated and thoughtfully inserted at meaningful points to enhance the learning experience. In addition, it offers formative auto-graded assessment materials to provide students with regular opportunities to test their understanding.

Digital enhancements introduced for the new edition include dynamic graphs, which students can interact with to explore how the manipulation of variables affects the results of the graphs; self-check questions at the end of every Topic; video content from physical chemists; and video tutorials that accompany the Focus features, which dig deeper into the key equations introduced. There is also a new foundational prologue entitled Energy: A First Look, which summarizes key concepts that are best kept in mind right from the beginning of physical chemistry studies.

The coupling of the broad coverage of the subject with a structure and use of pedagogy that is even more innovative will ensure that Atkins' Physical Chemistry remains the textbook of choice for studying physical chemistry.

A timely, informative, and fascinating study of 8 inventions--and how they shaped our world--with totally compelling insights on little-known inventors throughout history (Elizabeth Kolbert, Pulitzer Prize-winning author of The Sixth Extinction)

In The Alchemy of Us, scientist and science writer Ainissa Ramirez examines 8 inventions and reveals how they shaped the human experience:

- Clocks
- Steel rails
- Copper communication cables
- Photographic film
- Light bulbs
- Hard disks
- Scientific labware
- Silicon chips

Ramirez tells the stories of the woman who sold time, the inventor who inspired Edison, and the hotheaded undertaker whose invention pointed the way to the computer. She describes how our pursuit of precision in timepieces changed how we sleep; how the railroad helped commercialize Christmas; how the necessary brevity of the telegram influenced Hemingway's writing style; and how a young chemist exposed the use of Polaroid's cameras to create passbooks to track black citizens in apartheid South Africa. These fascinating and inspiring stories offer new perspectives on our relationships with technologies.

Ramirez shows not only how materials were shaped by inventors but also how those materials shaped culture, chronicling each invention and its consequences--intended and unintended. Filling in the gaps left by other books about technology, Ramirez showcases little-known inventors--particularly people of color and women--who had a significant impact but whose accomplishments have been hidden by mythmaking, bias, and convention. Doing so, she shows us the power of telling inclusive stories about technology. She also shows that innovation is universal--whether it's splicing beats with two turntables and a microphone or splicing genes with two test tubes and CRISPR.

The Student Solutions Manual to accompany Atkins' Physical Chemistry 11th Edition provides full worked solutions to the 'a' exercises, and the odd-numbered discussion questions and problems presented in the parent book. The manual is intended for students and provides helpful comments and friendly advice to aid understanding.

This text teaches the principles underlying modern chemical kinetics in a clear, direct fashion, using several examples to enhance basic understanding. It features solutions to selected problems, with separate sections and appendices that cover more technical applications.
Each chapter is self-contained and features an introduction that identifies its basic goals, their significance, and a general plan for their achievement. This text's important aims are to demonstrate that the basic kinetic principles are essential to the solution of modern chemical problems, and to show how the underlying question -- How do chemical reactions occur? -- leads to exciting, vibrant fields of modern research. The first aim is achieved by using relevant examples in presenting the basic material, and the second is attained by inclusion of chapters on surface processes, photochemistry, and reaction dynamics.

This study guide for the Chemistry Olympiad contains summarized concepts and examples in all areas of chemistry. The chapters are arranged in a logical manner and establishes connections between concepts. Undergraduate chemistry concepts are explained clearly: every equation in physical chemistry is derived and justified while every organic reaction has its reaction mechanism shown and explained, without assuming that readers have university-level background in the subject. The book also contains original Chemistry Olympiad sample problems that readers may use to test their knowledge.This is a first book of its kind, written by Nan Zhihan, International Chemistry Olympiad (IChO) gold medallist and winner of the International Union of Pure and Applied Chemistry (IUPAC) Prize for achieving the highest score in the experimental exam, and experienced Chemistry Olympiad trainer Dr Zhang Sheng, who has served as head mentor of Singapore IChO team for many years. It builds on the experience of both a participant and trainer to help any aspiring Chemistry Olympiad student understand the challenging concepts in chemistry.

Atkins' Physical Chemistry is widely acknowledged by students and lecturers around the globe to be the textbook of choice for studying physical chemistry.

The exceptional quality of previous editions has been built upon to make the twelfth edition of Atkins' Physical Chemistry even more closely suited to the needs of both lecturers and students. The writing style has been refreshed in collaboration with current students of physical chemistry in order to retain the clarity for which the book is recognized while mirroring the way that students read and engage with information.

The new edition is now available as an enhanced e-Book, which offers a richer, more dynamic learning experience. It does this by incorporating digital enhancements that are carefully curated and thoughtfully inserted at meaningful points to enhance the learning experience. In addition, it offers formative auto-graded assessment materials to provide students with regular opportunities to test their understanding.

Digital enhancements introduced for the new edition include dynamic graphs, which students can interact with to explore how the manipulation of variables affects the results of the graphs; self-check questions at the end of every Topic; video content from physical chemists; and video tutorials to accompany the Focus features, which dig deeper into the key equations introduced. There is also a new foundational prologue entitled Energy: A First Look, which summarizes key concepts that are best kept in mind right from the beginning of physical chemistry studies.

The coupling of the broad coverage of the subject with a structure and use of pedagogy that is even more innovative will ensure that Atkins' Physical Chemistry remains the textbook of choice for studying physical chemistry.

This highly respected, frequently cited book addresses two exciting fields: pattern formation and synchronization of oscillators. It systematically develops the dynamics of many-oscillator systems of dissipative type, with special emphasis on oscillating reaction-diffusion systems. The author applies the reductive perturbation method and the phase description method to the onset of collective rhythms, the formation of wave patterns, and diffusion-induced chemical turbulence.
This two-part treatment starts with a section on methods, defining and exploring the reductive perturbation method -- oscillators versus fields of oscillators, the Stuart-Landau equation, onset of oscillations in distributed systems, and the Ginzburg-Landau equations. It further examines methods of phase description, including systems of weakly coupled oscillators, one-oscillator problems, nonlinear phase diffusion equations, and representation by the Floquet eigenvectors.
Additional methods include systematic perturbation expansion, generalization of the nonlinear phase diffusion equation, and the dynamics of both slowly varying wavefronts and slowly phase-modulated periodic waves. The second part illustrates applications, from mutual entrainment to chemical waves and chemical turbulence. The text concludes with a pair of convenient appendixes.

Fully revised and expanded, the second edition of Basic Chemical Concepts and Tables is written as a quick reference to the many different concepts and ideas encountered in chemistry. The volume presents important subjects in a concise format that makes it a practical resource for any reader.

Subjects include general chemistry, inorganic chemistry, organic chemistry, and spectral analysis. The new edition includes updated tables that are useful for the interpretation of ultraviolet-visible (UV-Vis), infrared (IR), nuclear magnetic resonance (NMR) and mass spectroscopy (MS) spectra, and expanded sections devoted to the concept of isomers and polymer structures and includes a new chapter on nuclear chemistry. Separate chapters offer physical constants and unit measurements commonly encountered and mathematical concepts needed when reviewing or working with basic chemistry concepts.

Key features:

- Provides chemical information in a concise format, fully illustrated with many graphs and charts, ideal for course review.

- Supplements traditional exam review books, serving undergraduate or graduate students.

- Provides professionals looking for a quick introduction to a topic with a comprehensive ready reference.

Graduate and undergraduate chemistry students, professionals or instructors looking to refresh their understanding of a chemistry topic will find this reference indispensable in their daily work.

From thermodynamics to molecular interactions, Physical Chemistry for the Life Sciences, Third Edition, explains how the principles of physical chemistry apply to the processes of life. It offers worked examples and multiple case studies throughout, helping students master even the most complex concepts--showing how they apply in biological contexts--and acquire key problem-solving and mathematical skills.

Directly addressing the main challenges faced by students, this book's pedagogically rich approach provides an accessible and holistic guide to the subject. The extended scope of this new edition includes the essential techniques that can be used to characterize biological systems, including biochemical spectroscopy, x-ray diffraction, and spectrometry.

The book is a short primer on chemical reaction rates based on a six-lecture first-year undergraduate course taught by the author at the University of Oxford. The book explores the various factors that determine how fast or slowly a chemical reaction proceeds and describes a variety of experimental methods for measuring reaction rates. The link between the reaction rate and the sequence of steps that makes up the reaction mechanism is also investigated. Chemical reaction rates is a core topic in all undergraduate chemistry courses.

Group theoretical principles are an integral part of modern chemistry. Not only do they help account for a wide variety of chemical phenomena, they simplify quantum chemical calculations. Indeed, knowledge of their application to chemical problems is essential for students of chemistry. This complete, self-contained study, written for advanced undergraduate-level and graduate-level chemistry students, clearly and concisely introduces the subject of group theory and demonstrates its application to chemical problems.
To assist chemistry students with the mathematics involved, Professor Bishop has included the relevant mathematics in some detail in appendixes to each chapter. The book can then be read either as an introduction, dealing with general concepts (ignoring the appendixes), or a fairly comprehensive description of the subject (including the appendixes). In any case, the author assures students that the mathematics involved in actually applying, as opposed to deriving, group theoretical formulae is quite trivial. It involves little more than adding and multiplying.

The visionary science behind the digital human twins that will enhance our health and our future

Virtual You is a panoramic account of efforts by scientists around the world to build digital twins of human beings, from cells and tissues to organs and whole bodies. These virtual copies will usher in a new era of personalized medicine, one in which your digital twin can help predict your risk of disease, participate in virtual drug trials, shed light on the diet and lifestyle changes that are best for you, and help identify therapies to enhance your well-being and extend your lifespan--but thorny challenges remain.

In this deeply illuminating book, Peter Coveney and Roger Highfield reveal what it will take to build a virtual, functional copy of a person in five steps. Along the way, they take you on a fantastic voyage through the complexity of the human body, describing the latest scientific and technological advances--from multiscale modeling to extraordinary new forms of computing--that will make virtual you a reality, while also considering the ethical questions inherent to realizing truly predictive medicine.

With an incisive foreword by Nobel Prize-winning biologist Venki Ramakrishnan, Virtual You is science at its most astounding, showing how our virtual twins and even whole populations of virtual humans promise to transform our health and our lives in the coming decades.

As the first modern physical chemistry textbook to cover quantum mechanics before thermodynamics and kinetics, this book provides a contemporary approach to the study of physical chemistry. By beginning with quantum chemistry, students will learn the fundamental principles upon which all modern physical chemistry is built. The text includes a special set of MathChapters to review and summarize the mathematical tools required to master the material Thermodynamics is simultaneously taught from a bulk and microscopic viewpoint that enables the student to understand how bulk properties of materials are related to the properties of individual constituent molecules. This new text includes a variety of modern research topics in physical chemistry as well as hundreds of worked problems and examples.Translated into French, Italian, Japanese, Spanish and Polish.

Walter Kohn, 1998 Nobel Laureate in Chemistry and discoverer of the Density Functional Theory (DFT), died in 2016 at the grand age of 93. This book is the first ever biography of Kohn, who led a remarkable life and scientific career, not least the fact that his DFT theory has emerged as the underlying computational method for molecular simulation used throughout the physical and life sciences. Taking us on a compelling journey, Sir David Clary traces Kohn's early life in Vienna and his dramatic escape from the Nazis on the Kindertransport to England in 1939, followed by Kohn's internment as an 'enemy alien' and his transportation to Canada in 1940. His subsequent scientific career is discussed in detail, including his remarkable sabbatical in France when he discovered DFT, and his enduring efforts on peace initiatives and reduction of nuclear proliferation. An extraordinary story of a theoretical physicist winning the Nobel Prize in Chemistry, Walter Kohn is a sparkling chronicle of one of the great scientists of the 20th century who forever changed the way contemporary science is done.

This profile of the evolution of the spin concept from its role in quantum mechanics to its assimilation into the field of chemistry examines spin and valence, spin Hamiltonians, nuclear hyperfine effects and electron spin-spin coupling, the g tensor, and nuclear spin-spin coupling. 16 figures. 1970 edition.

With the development of a variety of exciting new areas of research involving computational chemistry, nano- and smart materials, and applications of the recently discovered graphene, there can be no doubt that physical chemistry is a vitally important field. It is also perceived as the most daunting branch of chemistry, being necessarily grounded in physics and mathematics and drawing as it does on quantum mechanics, thermodynamics, and statistical thermodynamics.

With his typical clarity and hardly a formula in sight, Peter Atkins' Very Short Introduction explores the contributions physical chemistry has made to all branches of chemistry. Providing insight into its central concepts Atkins reveals the cultural contributions physical chemistry has made to our understanding of the natural world.

About the Series:
Oxford's Very Short Introductions series offers concise and original introductions to a wide range of subjects--from Islam to Sociology, Politics to Classics, Literary Theory to History, and Archaeology to the Bible. Not simply a textbook of definitions, each volume in this series provides trenchant and provocative--yet always balanced and complete--discussions of the central issues in a given discipline or field. Every Very Short Introduction gives a readable evolution of the subject in question, demonstrating how the subject has developed and how it has influenced society. Eventually, the series will encompass every major academic discipline, offering all students an accessible and abundant reference library. Whatever the area of study that one deems important or appealing, whatever the topic that fascinates the general reader, the Very Short Introductions series has a handy and affordable guide that will likely prove indispensable.

Known for its strong focus on allied health and integrated technology, CHEMISTRY FOR TODAY: GENERAL, ORGANIC, AND BIOCHEMISTRY, 10th Edition, helps you understand the vital connections between chemistry fundamentals and today's healthcare professions. Thoroughly updated with step-by-step solutions, additional organic chemistry and biochemistry practice problems and photos from real-world job settings, this edition supports today's diverse learners with a wide range of applications, examples, boxed features and interactive technology tools. In addition, the text includes sample questions found on entrance exams for allied health professional programs and information on different career paths and the qualifications you'll need to pursue them. With abundant learning features, an accessible writing style and clear explanations, this engaging text makes chemistry seem less intimidating while helping you gain an appreciation for the role chemistry plays in daily life. The text also provides strong support for both problem solving and critical thinking--two essential skills necessary for classroom and career success. Available with OWLv2, the most trusted online learning solution for chemistry, the tenth edition offers answer hints and answer-specific feedback for selected questions to improve your confidence and self-awareness while helping you work to master key course concepts.