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Atomic charges, bond properties, and molecular energies /
The first book to cover conceptual quantum chemistry, Atomic Charges, Bond Properties, and Molecular Energies deftly explores chemical bonds, their intrinsic energies, and the corresponding dissociation energies, which are relevant in reactivity problems. This unique first-hand, self-contained prese...
| Clasificación: | Libro Electrónico |
|---|---|
| Autor principal: | |
| Formato: | Electrónico eBook |
| Idioma: | Inglés |
| Publicado: |
Hoboken, N.J. :
Wiley,
©2009.
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| Temas: | |
| Acceso en línea: | Texto completo |
Tabla de Contenidos:
- Charge distributions
- Theoretical background
- Core and valence electrons
- The valence region of molecules
- Inductive effects; atomic charges
- Atomic charges and NMR shifts
- Charges and ionization potentials
- Population analysis
- Chemical bonds: energy calculations
- Thermochemical formulas
- The chemical bond: theory (I)
- The chemical bond: theory (II)
- Bond dissociation energies
- Applications
- Saturated hydrocarbons
- Unsaturated hydrocarbons
- Nitrogen-containing molecules
- Oxygen-containing molecules
- Perspectives.