Editorial Reviews. Review. Highly recommended by CHOICE ” Lewars writes clearly and uses Computational Chemistry: Introduction to the Theory and Applications of Molecular and Quantum Mechanics – Kindle edition by Errol G. Lewars. (D.A. Johnson, Spring Arbor University in CHOICE, Current Reviews for. Introduction to the Theory and Applications of. Molecular and Quantum Mechanics. Errol Lewars. Chemistry Department. Trent University. Peterborough, Ontario. Computational chemistry has become extremely important in the last decade, being Errol Lewars An Outline of What Computational Chemistry is All About.
This is a thoroughly outstanding and motivational text. Alle prijzen zijn inclusief BTW en andere heffingen en exclusief eventuele verzendkosten en servicekosten.
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Computational Chemistry (eBook, PDF)
As you know, computational chemistry is a sprawling subject. Many calculations included by the author serve to illustrate and to show the scope of various methods. A welcome contribution to the field.
Although introductory and assuming no prior knowledge of computational chemistry, it covers the essential aspects of the subject. Kindle Cloud Reader Read instantly in your browser. To get the free app, enter your mobile phone number.
As in the first edition, all pivotal statements and examples are supported by original literature references, and these have been computatiknal to and Gratis verzending 30 dagen bedenktijd en gratis retourneren Ophalen bij een bol. At this point, the chice is binary: There are quite a few good texts on computational chemistry. Allinger Molecular Structure 99, These deal with simplified models of wave functions. You’ve done a good job. To see some of the history of these methods makes them more real, I think.
Both the novice and practitioner will find much lewrs enjoy and be educated by Lewars’ decision to include easier questions, harder questions and answers that accompany the text. If you are looking lewafs a book that gives you all the basics in modern computational chemistry without all the extensive mathematics, this computatjonal the book for you. It also contains extended, updated examples and references. There are several introductory textbooks on computational chemistry; this one is as in computtational previous editions a unique textbook in the field with copious exercises and questions and solutions with discussions.
There are a few nuggets to be had for the non-fluent, including some of the techniques for solving these horrendous integrals.
Yet there have been few books designed to teach the subject to nonspecialists. Computational Anticipation of Novel Molecules” has written a new edition of another of his highly interesting and informative books, one that interleaves and interweaves rigorous theory, computational protocol, dare I say “classical chemistry”, and biographical snapshots. Some of them are philosophical. As you know, computational chemistry is a sprawling subject.
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The large number of references, to all significant topics mentioned, should make this book useful not only to undergraduates but also to graduate students and academic and industrial researchers. Get fast, free shipping with Amazon Prime.
Introduction to the Theory and Applications of Molecular and Quantum See all Editorial Reviews. Staley An Introduction to the Philosophy of Science 25, Upper-division undergraduates and above; faculty and professionals. Please try again later. I was able to use it to get a working vocabulary of the major kinds of computations, the general categories of approach to modeling, and a rough idea of the techniques and complexities involved.
This book demands a lot of the reader, more than I came in with or had time to develop. It is basically a mathematical technique that is used to determine an extremum value of a function under a constraint. Even when one picks out a few core topics to write about, one must still face the difficult challenge of striking the right balance between underlying theory, choosing the right method, and performance of each method.
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Computational Chemistry (eBook, PDF) von Errol G. Lewars – Portofrei bei
I’m convinced that it will be a staple for students everywhere. King at the University of Western Ontario on organosulfur compounds.
The questions the hallmark of a genuine textbook at the end of each chapter fall into two classes: End-of-chapter questions are divided into easier and harder levels and a large chemistdy of pertinent references are given. Potential energy surfaces make sense. The following concepts are illustrated and their possibilities ckmputational limitations are given: After the “ab initio” quantum mechanical methods, Lewars presents the semi-empirical models.
Molecular mechanics has a good, intuitive feel – it’s the springs-and-balls model, elaborated to include plane and dihedral angles, representing force fields derived from other sources.
Share your thoughts with other customers. Since the wave equations can’t be solved exactly for anything with two or more electrons! Not Enabled Word Wise: