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book
BookPrinted Material
Author Lewars, Errol.

Title Computational chemistry : introduction to the theory and applications of molecular and quantum mechanics / Errol Lewars.

Publication Info. Boston : Kluwer Academic, [2003]
©2003
Online access
Table of contents

Item Status

Location Call No. Status OPAC Message Public Note Gift Note
 Moore Stacks  QD455.3.C64 L49 2003    Available  ---
Description x, 471 pages : illustrations (some color) ; 24 cm
Bibliography Includes bibliographical references and index.
Contents An outline of what computational chemistry is all about -- The concept of the potential energy surface -- Molecular mechanics -- Introduction to quantum mechanics in computational chemistry -- Ab initio calculations -- Semiempirical calculations -- Density functional calculations -- Literature, software, books and websites.
Subject Chemistry, Physical and theoretical -- Computer simulation.
Chemistry, Physical and theoretical -- Computer simulation.
Chemistry, Physical and theoretical.
Chemistry -- Data processing.
Chemistry -- Data processing.
Quantum chemistry -- Computer simulation.
Quantum chemistry.
Computer simulation.
Molecular structure -- Computer simulation.
Molecular structure -- Computer simulation.
Molecular structure.
Genre/Form Festschriften.
Festschriften.
ISBN 1402072856 acid-free paper

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