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Bücher Englische Bücher Wissen & Bildung Naturwissenschaft, Medizin, Informatik, Technik Chemie Physikalische Chemie Charge Distributions and Chemical Effects
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Charge Distributions and Chemical Effects
S. Fliszar (Broschiert, Englisch)
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Beschreibung
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. Dieses Produkt haben wir gerade leider nicht auf Lager.
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Technische Daten
Erscheinungsdatum
05.11.2011
Sprache
Englisch
EAN
9781461255772
Herausgeber
Springer US
Sonderedition
Nein
Autor
S. Fliszar
Seitenanzahl
205
Einbandart
Broschiert
Buch Untertitel
A New Approach to the Electronic Structure and Energy of Molecules
Schlagwörter
Bindungsenergie, Ladungsverteilung, chemistry, molecule, quantum theory
Thema-Inhalt
PNR - Physikalische Chemie
PSB - Biochemie
PHM - Atom- und Molekularphysik
Höhe
235 mm
Breite
15.5 cm
Hersteller: Springer Nature Customer Service Center GmbH, Europaplatz 3, Heidelberg, Deutschland, 69115, ProductSafety@springernature.com
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