Product Description: This text is written for undergraduate and even graduate chemistry students who need a quick review of the mathematical methods that are used throughout chemistry. It is the outgrowth of a collections of Math Chapters from McQuarrie's famous texts, Physical Chemistry: A Molecular Approach and Quantum Chemistry, Second Edition (2008)...read more

Introduction to Computational Chemistry Second Edition provides a comprehensive account of the fundamental principles underlying different methods, ranging from classical to the sophisticated. Although comprehensive in its coverage, this textbook focuses on calculating molecular structures and (relative) energies and less on molecular properties or dynamical aspects. No prior knowledge of concepts specific to computational chemistry are assumed, but the reader will need some understanding of introductory quantum mechanics, linear algebra, and vector, differential and integral calculus.

This book consolidates and brings up to date the variational theory and methods currently used in many branches of theoretical physics and chemistry. The text surveys essential ideas and methods, concentrating on theory as used in applications rather than on fine points of rigorous mathematics. Essential concepts are developed in a common notation and from a uniform critical point of view. Examples of important applications are reviewed in sufficient detail to provide the reader with a critical understanding of context and methodology.

Product Description: Mathematics for Physical Chemistry, Third Edition, is the ideal text for students and physical chemists who want to sharpen their mathematics skills. It can help prepare the reader for an undergraduate course, serve as a supplementary text for use during a course, or serve as a reference for graduate students and practicing chemists...read more

Product Description: A how to do it review and learn book on advanced mathematics necessary to physical chemistry. Coordinate systems, functions and graphs, logarithms, differential calculus, integral calculus, infinite series, differential equations, scalars and vectors, matrices and determinants, operators, numerical methods and the use of the computer, and mathematical methods in the laboratory...read more

Product Description: This volume covers the rapidly developing field of complexity studies with the underlying theme that complexity is to be found everywhere. The volume discusses many chemical applications and offers a comprehensive coverage of complexity and the ways in which it may be measured, complexity indices, complexity measures based on Shannon's information theory, and thermodynamic complexity...read more

Product Description: In this superb topology text, the readers not only learn about knot theory, 3-dimensional manifolds, and the topology of embedded graphs, but also their role in understanding molecular structures. Most results described in the text are motivated by the questions of chemists or molecular biologists, though they often go beyond answering the original question asked...read more (view table of contents, read Amazon.com's description)

Product Description: >When initially introduced, the reduced density matrices (RDMs) held the promise of greatly simplifying electronic structure calculations. Although these expectations were not met immediately, recent work has placed RDMs at the center of new approaches to the electron correlation problem...read more (view table of contents, read Amazon.com's description)

Product Description: This book explains the basic aspects of symmetry groups as applied to problems in physics and chemistry using a unique approach developed by the author. This approach includes working out symmetry groups and their representations, eliminating the undue abstract nature of group theoretical methods...read more (view table of contents, read Amazon.com's description)

Product Description: A practical guide to solving problems in chemistry with fractal geometry. It has been two decades since Mandelbrot formulated his revolutionary theories of fractal geometry. Yet, in that brief time, fractals -those strangely beautiful infinite geometric patterns -and the computational processes that give rise to them have become a valued research tool in a broad array of scientific, social-scientific, and commercial fields...read more (view table of contents, read Amazon.com's description)

Product Description: Designed for first year university students studying chemistry, and students taking physical chemistry as part of their degree course, this workbook will allow students to work through the calculations as self-paced individuals or in groups, alongside traditional lecture courses...read more

Product Description: The self-avoiding walk is a mathematical model with important applications in statistical mechanics and polymer science. This text provides a unified account of the rigorous results for the self-avoiding walk, focusing on its critical behaviour...read more (view table of contents, read Amazon.com's description)

Product Description: This is the second volume of a two-volume work devoted to probability theory in physical chemistry, and engineering. Rather than dealing explicitly with the idea of an ongoing random walk, with each chaotic step taking place at fixed time intervals, this volume addresses models in which the disorder is frozen in space-random environments...read more

Product Description: Algebraic Methods in Quantum Chemistry and Physics provides straightforward presentations of selected topics in theoretical chemistry and physics, including Lie algebras and their applications, harmonic oscillators, bilinear oscillators, perturbation theory, numerical solutions of the Schrödinger equation, and parameterizations of the time-evolution operator...read more (view table of contents, read Amazon.com's description)

Product Description: In modern times, group-theoretical principles have been exploited in the study of atomic and molecular systems, electronic and vibrational spectra of all kinds, a wide variety of thermodynamic systems, chemical reactions, the enumeration of a host of differing chemical species, and the chemical combinatorial problems of many kinds...read more

Product Description: The patterns of frost on a cold window, eroded landscapes, and particles grown in an aerosol all have forms that are conventionally regarded as irregular, with little or no symmetry. In Fractals in Chemistry, the reader is introduced to the fractal dimension, a concept that allows for a unified description of such diverse and irregular objects, and implies that they all possess heretofore unperceived symmetries...read more

Product Description: Computational methods are rapidly becoming major tools of theoretical, pharmaceutical, materials, and biological chemists. Accordingly, the mathematical models and numerical analysis that underlie these methods have an increasingly important and direct role to play in the progress of many areas of chemistry...read more

Product Description: This is the first of two volumes devoted to probability theory in physics, physical chemistry, and engineering, providing an introduction to the problem of the random walk and its applications. In its simplest form, the random walk describes the motion of an idealized drunkard and is a discreet analogy of the diffusion process...read more

Product Description: In chapter 1, after an outline of some historical aspects of the use of symmetry in chemistry is given, the scene is set by introducing a number of group theoretical techniques that have been employed by chemists. Chapter 2 considers in detail the nature and the differing types of groups that have been employed by chemists and others in their description of chemical systems...read more

Product Description: In this introductory text, Dr. Birdi demonstrates experimental methods and analyses of fractal dimensions in natural processes. In addition to a general overview, he discusses in detail problems in the fields of chemistry, geochemistry, and biophysics...read more