Charge Distributions and Chemical Effects: A New Approach to the Electronic Structure and Energy of Molecules

Fliszar, S.

ISBN 10: 0387908544 / ISBN 13: 9780387908540

Published by Springer, 1983

About this Item

Sun-fading on the cover. A former library book with all the expected stamps, stickers and markings. Some shelf, storage or usage wear present. The binding is tight and all pages are present. No dustjacket included, as pictured. The pages appear unmarked. Pictures available upon request. Individually inspected by Shay. Thanks for supporting an independent bookseller!

Seller Inventory # FBV.0387908544.G

Bibliographic Details

• Title: Charge Distributions and Chemical Effects: A New Approach to the Electronic Structure and Energy of Molecules
• Publisher: Springer
• Publication Date: 1983
• Language: English
• ISBN 10: 0387908544
• ISBN 13: 9780387908540
• Binding: Hardcover
• Condition: good

About this title

Synopsis

The energy of a molecule can be studied with the help of quantum theory, a satisfactory approach because it involves only basic and clearly identified physical concepts. In an entirely different approach, the molecular energy can be broken down into individual contributions reflecting chemical bonds plus a host of subsidiary "effects", like y-gauche, skew pentane, ring-strain, etc. , giving an overall picture in terms of topological characteristics. The latter approach can be successful, particularly if a sufficient number of particular topological situations have been parametrized (which is an empir­ ical way of "understanding" chemistry), but also contains the seed for difficulties. Indeed, the danger exists of unduly ascribing a physical meaning to corrective terms whose function is primarily to account in an empirical fashion for discrepancies between "expected" and observed results. The link between this type of empirical approach and the knowledge that the ground state energy is uniquely determined by the electron density is lost somewhere along the road, although some of the "steric effects" are here and there vaguely traced back to electronic effects. The approach presented in this monograph goes back to the fundamen­ tals in that it is exclusively based on interactions involving nuclear and electronic charges. Confining the study to molecules in their equilibrium geometry, the problem of molecular energies is reduced to its electrostatic aspects, explicitly involving local electron populations.