Basic quantum‐chemical concepts, the chemical bond revisited

Onderzoeksoutput: Hoofdstuk in Boek/Rapport/CongresprocedureHoofdstukAcademicpeer review

Samenvatting

Quantum‐chemical functions as Partial density of States and Crystal orbital Hamiltonian population are introduced. They are essential to understand the electronic nature of the chemical bond. The electronic structure of diatomic molecules and solid state materials, mainly the transition metals will be discussed. As an illustration the relation between transition metal structure and valence electron distribution is presented.
Originele taal-2Engels
TitelModern Heterogeneous Catalysis
SubtitelAn Introduction
RedacteurenRutger A. van Santen
UitgeverijWiley-VCH Verlag
Hoofdstuk6
Pagina's173-207
Aantal pagina's35
Uitgave2017
ISBN van elektronische versie978-3-527-33961-7
ISBN van geprinte versie978-3-527-33961-7
DOI's
StatusGepubliceerd - 24 feb 2017

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Citeer dit

van Santen, R., & Tranca, I. (2017). Basic quantum‐chemical concepts, the chemical bond revisited. In R. A. van Santen (editor), Modern Heterogeneous Catalysis : An Introduction (2017 redactie, blz. 173-207). Wiley-VCH Verlag. https://doi.org/10.1002/9783527810253.ch6