Methods in Physical Chemistry


Book Description

Thanks to the progress made in instruments and techniques, the methods in physical chemistry have developed rapidly over the past few decades, making them increasingly valuable for scientists of many disciplines. These two must-have volumes meet the needs of the scientific community for a thorough overview of all the important methods currently used. As such, this work bridges the gap between standard textbooks and review articles, covering a large number of methods, as well as the motivation behind their use. A uniform approach is adopted throughout both volumes, while the critical comparison of the advantages and disadvantages of each method makes this a valuable reference for physical chemists and other scientists working with these techniques.







Mathematical Methods for Physical and Analytical Chemistry


Book Description

Mathematical Methods for Physical and Analytical Chemistry presents mathematical and statistical methods to students of chemistry at the intermediate, post-calculus level. The content includes a review of general calculus; a review of numerical techniques often omitted from calculus courses, such as cubic splines and Newton’s method; a detailed treatment of statistical methods for experimental data analysis; complex numbers; extrapolation; linear algebra; and differential equations. With numerous example problems and helpful anecdotes, this text gives chemistry students the mathematical knowledge they need to understand the analytical and physical chemistry professional literature.




Physical Chemistry


Book Description




Modern Methods for Theoretical Physical Chemistry of Biopolymers


Book Description

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




Physical Chemistry for the Biological Sciences


Book Description

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.




Many-Body Methods in Chemistry and Physics


Book Description

This book describes the mathematical and diagrammatic techniques employed in the popular many-body methods to determine molecular structure, properties and interactions.










Spectral Methods in Chemistry and Physics


Book Description

This book is a pedagogical presentation of the application of spectral and pseudospectral methods to kinetic theory and quantum mechanics. There are additional applications to astrophysics, engineering, biology and many other fields. The main objective of this book is to provide the basic concepts to enable the use of spectral and pseudospectral methods to solve problems in diverse fields of interest and to a wide audience. While spectral methods are generally based on Fourier Series or Chebychev polynomials, non-classical polynomials and associated quadratures are used for many of the applications presented in the book. Fourier series methods are summarized with a discussion of the resolution of the Gibbs phenomenon. Classical and non-classical quadratures are used for the evaluation of integrals in reaction dynamics including nuclear fusion, radial integrals in density functional theory, in elastic scattering theory and other applications. The subject matter includes the calculation of transport coefficients in gases and other gas dynamical problems based on spectral and pseudospectral solutions of the Boltzmann equation. Radiative transfer in astrophysics and atmospheric science, and applications to space physics are discussed. The relaxation of initial non-equilibrium distributions to equilibrium for several different systems is studied with the Boltzmann and Fokker-Planck equations. The eigenvalue spectra of the linear operators in the Boltzmann, Fokker-Planck and Schrödinger equations are studied with spectral and pseudospectral methods based on non-classical orthogonal polynomials. The numerical methods referred to as the Discrete Ordinate Method, Differential Quadrature, the Quadrature Discretization Method, the Discrete Variable Representation, the Lagrange Mesh Method, and others are discussed and compared. MATLAB codes are provided for most of the numerical results reported in the book - see Link under 'Additional Information' on the the right-hand column.