Molecular Physical Chemistry: A Computer-based Approach using Mathematica(R) and

Description: Molecular Physical Chemistry by José J.C. Teixeira-Dias This is the physical chemistry textbook for students with an affinity for computers! It offers basic and advanced knowledge for students in the second year of chemistry masters studies and beyond. In seven chapters, the book presents thermodynamics, chemical kinetics, quantum mechanics and molecular structure (including an introduction to quantum chemical calculations), molecular symmetry and crystals. The application of physical-chemical knowledge and problem solving is demonstrated in a chapter on water, treating both the water molecule as well as water in condensed phases.Instead of a traditional textbook top-down approach, this book presents the subjects on the basis of examples, exploring and running computer programs (Mathematica®), discussing the results of molecular orbital calculations (performed using Gaussian) on small molecules and turning to suitable reference works to obtain thermodynamic data. Selected Mathematica® codes are explained at the end of each chapter and cross-referenced with the text, enabling students to plot functions, solve equations, fit data, normalize probability functions, manipulate matrices and test physical models. In addition, the book presents clear and step-by-step explanations and provides detailed and complete answers to all exercises. In this way, it creates an active learning environment that can prepare students for pursuing their own research projects further down the road.Students who are not yet familiar with Mathematica® or Gaussian will find a valuable introduction to computer-based problem solving in the molecular sciences. Other computer applications can alternatively be used. For every chapter learning goals are clearly listed in the beginning, so that readers can easily spot the highlights, and a glossary in the end of the chapter offers a quick look-up of important terms. FORMAT Paperback LANGUAGE English CONDITION Brand New Back Cover This is the physical chemistry textbook for students with an affinity for computers! It offers basic and advanced knowledge for students in the second year of chemistry masters studies and beyond. In seven chapters, the book presents thermodynamics, chemical kinetics, quantum mechanics and molecular structure (including an introduction to quantum chemical calculations), molecular symmetry and crystals. The application of physical-chemical knowledge and problem solving is demonstrated in a chapter on water, treating both the water molecule as well as water in condensed phases. This book presents the subjects on the basis of examples, exploring and running computer programs (Mathematica Author Biography José J. C. Teixeira Dias is retired Professor of Physical Chemistry from the University of Aveiro, Portugal. He obtained his PhD from the University of Sussex, Brighton, UK, in 1970 under the supervision of Professor John Murrell and Professor Harold Kroto. From 1980 to 1995 he was Professor of Chemistry at the University of Coimbra before moving to the University of Aveiro. In 1991 Prof. Dias became Fellow of the Royal Society of Chemistry with the Chartered Chemist (CChem) distinction.Prof. Dias has authored four university student textbooks in Portuguese on Quantum Chemistry, Molecular Spectroscopy, Pascal Programming and Applications, and an Introduction to Physical Chemistry. With this current textbook on Molecular Physical Chemistry he is addressing an international readership, providing a great resource for an active learning environment. Table of Contents Thermodynamics.- Chemical Kinetics.- Schrödinger Equation.- Molecular Symmetry.- Molecular Structure.- Crystals.- Water.- Appendix.- Solutions to the Exercises. Feature Creates an active learning environment, using computer-based problem solving, illustrated with a wealth of examples and exercises Explains basic and advanced concepts in thermodynamics, chemical kinetics, quantum mechanics, molecular structure, symmetry and crystals Includes an introduction to quantum chemical calculations: methodology and basis sets Offers students an essential guide to physical chemistry and prepares them for pursuing their own research projects Details ISBN3319822659 ISBN-10 3319822659 ISBN-13 9783319822655 Format Paperback DEWEY 536.7 Pages 457 Publisher Springer International Publishing AG Year 2018 Publication Date 2018-07-12 Imprint Springer International Publishing AG Place of Publication Cham Country of Publication Switzerland Short Title Molecular Physical Chemistry Language English UK Release Date 2018-07-12 Narrator Patrick Osborne Edited by Paolo Mele Birth 1974 Affiliation Massachusetts Institute of Technology Position journalist Author José J.C. Teixeira-Dias Edition Description Softcover reprint of the original 1st ed. 2017 Subtitle A Computer-based Approach using Mathematica® and Gaussian Alternative 9783319410920 Audience Professional & Vocational Illustrations 17 Illustrations, color; 253 Illustrations, black and white; XVI, 457 p. 270 illus., 17 illus. in color. We've got this At The Nile, if you're looking for it, we've got it. With fast shipping, low prices, friendly service and well over a million items - you're bound to find what you want, at a price you'll love! TheNile_Item_ID:131031546;

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