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.

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Albright Orbital Interactions in ChemistryAs you know, computational chemistry is a sprawling subject. 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.

Lewars writes clearly and uses illustrations and examples Since the wave equations can’t be solved exactly for anything with two compugational more electrons!

Computational Chemistry (eBook, PDF) von Errol G. Lewars – Portofrei bei

Mark Auszug – It also contains extended, updated examples and references. Levertijd Chemisttry doen er alles aan om dit artikel op tijd te bezorgen.

The mathematics is presented in a step by step manner. Customers who re this item also bought. Read more Read less. Too often, science is presented dispassionately in books. They are based on the electron wave functions, as are the ab initio methods, but use approximations calibrated by experimental results.

There are several introductory textbooks on computational chemistry; this one is as in its …mehr. A welcome contribution to the field.


This is the third edition of the successful text-reference book that covers computational chemistry. For now, my only real criticism of this book is lack of glossary. The following concepts are illustrated and their possibilities and limitations are given: Amazon Rapids Fun stories for kids on the go. Amazon Advertising Find, attract, and engage customers.

All in all, I would recommend this dd to anybody interested in beginning to learn about computational chemistry. The questions the hallmark of a genuine textbook at the end of each chapter fall into two classes: Andere Ausgaben – Alle anzeigen Computational Chemistry: As you know, computational chemistry is a sprawling subject.

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Welke opties voor jouw bestelling beschikbaar zijn, zie je bij het afronden van de bestelling. Mostly, though, I moved on.

See all 3 reviews. Computational chemistry has become extremely important in the last decade, being widely used in academic and industrial research. The strengths and weaknesses of each method are discussed throughout the text and illustrate with many interesting examples of organic molecules.

Bezorgopties We bieden verschillende opties aan voor het bezorgen of ophalen van je bestelling. There’s a problem loading this menu right now. Overige kenmerken Extra groot lettertype Nee. The premise is that the layout of electrons across a molecule determines its chemistry, and comptational the wave function tells where the electrons will be.

Get fast, free shipping with Amazon Prime. Essentials of Computational Chemistry: Unlike ab initio methods, which stand on almost purely theoretical models, semi-empirical methods are informed by experimental data. Bekijk de hele lijst. Although introductory and assuming chemistdy prior knowledge of computational chemistry, it covers the essential aspects of the subject. As in the first edition, all pivotal statements and examples are supported by original literature references, and these have been updated to and Springer; 1 edition May 8, Publication Date: There was a problem filtering reviews right now.


End-of-chapter questions are divided into easier and harder levels and a large number of pertinent references are given. The following concepts are illustrated and their wrrol and limitations are given:. Your approach here is good. Ledars try again later. 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.

Potential energy surfaces make sense. Gratis verzending 30 dagen bedenktijd en leqars retourneren Ophalen bij een bol.

Computational Chemistry

The author does an outstanding job of balancing theoretical background with practical application to keep the text engaging and relevant. The Concept of the Potential Energy Surface. You do need a good understanding of mathematical techniques such multivariable calculus, Lagrange multiplier and basic linear Algebra. Noteworthy is the fact that it is the only book at the introductory level that shows in detail yet clearly how matrices are used in one important aspect computatiomal computational chemistry.

King at the University of Western Ontario on organosulfur compounds. Selected by Choice magazine as an Outstanding Academic Title for Woodward at Harvard on vitamin B12, and with J.

These books, especially the latter, are by far more mathematical than this one.

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