Computational Materials Chemistry Methods and Applications /
As a result of the advancements in algorithms and the huge increase in speed of computers over the past decade, electronic structure calculations have evolved into a valuable tool for characterizing surface species and for elucidating the pathways for their formation and reactivity. It is also now p...
| Συγγραφή απο Οργανισμό/Αρχή: | |
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| Άλλοι συγγραφείς: | , |
| Μορφή: | Ηλεκτρονική πηγή Ηλ. βιβλίο |
| Γλώσσα: | English |
| Έκδοση: |
Dordrecht :
Springer Netherlands,
2005.
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| Θέματα: | |
| Διαθέσιμο Online: | Full Text via HEAL-Link |
Πίνακας περιεχομένων:
- Using Quantum Calculations of NMR Properties to Elucidate Local and Mid-Range Structures in Amorphous Oxides, Nitrides and Aluminosilicates
- Molecular Modeling of Poly(Ethylene Oxide) Melts and Poly(Ethylene Oxide)-Based Polymer Electrolytes
- Nanostructure Formation and Relaxation in Metal(100) Homoepitaxial Thin Films: Atomistic and Continuum Modeling
- Theoretical Studies of Silicon Surface Reactions with Main Group Absorbates
- Quantum-Chemical Studies of Molecular Reactivity in Nanoporous Materials
- Theoretical Methods for Modeling Chemical Processes on Semiconductor Surfaces
- Theoretical Studies of Growth Reactions on Diamond Surfaces
- Charge Injection in Molecular Devices — Order Effects.
