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Computational Chemistry : Reviews of Current Trends, Vol. 6.
There are strong indications that, in the 21st century, computational chemistry will be a prime research tool not only for the basic sciences but also for the life and materials sciences. Recent developments in nanotechnology allow us to detect a layer of single atoms. Researchers are able not only...
| Clasificación: | Libro Electrónico |
|---|---|
| Otros Autores: | |
| Formato: | Electrónico eBook |
| Idioma: | Inglés |
| Publicado: |
World Scientific
2001.
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| Colección: | Computational chemistry ;
v. 6 |
| Temas: | |
| Acceso en línea: | Texto completo |
Tabla de Contenidos:
- Preface ; Chapter 1: Relativistic Multireference Moller-Plesset Perturbation Theory ; Abstract ; 1.1 Introduction ; 1.2 Relativistic multireference Moller-Plesset perturbation theory ; 1.3 Computational ; 1.4 Relativistic MR-MP calculations on aluminumlike ions
- V. Acknowledgements References ; Chapter 4: A Review of Ab Initio Calculations on Proton Transfer in Zeolites ; Abstract ; Introduction ; Structure and Properties of Zeolites ; Experimental Methods and Evidence for Proton Transfer in Zeolites
- Applicability of Quantum Chemistry Methodology to the Investigation of Structural and Electronic Properties of Zeolite- Adsorbate Complexes Ab-initio Calculations of Properties of Zeolite-Adsorbate Adsorption Complexes ; Concluding Remarks ; References