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Density functional theory : principles, applications and analysis /
| Clasificación: | Libro Electrónico |
|---|---|
| Otros Autores: | , |
| Formato: | Electrónico eBook |
| Idioma: | Inglés |
| Publicado: |
New York :
Nova Science Publishers, Inc.,
[2013]
|
| Colección: | Physics research and technology
|
| Temas: | |
| Acceso en línea: | Texto completo |
Tabla de Contenidos:
- Density functional treatment of interactions and chemical reactions at interfaces / José R.B. Gomes, José L.C. Fajín, M. Natália D.S. Cordeiro, Cátia Teixeira, Paula Gomes, Renjith S. Pillai,Gerard Novell-Leruth, Jordi Toda and Miguel Jorge
- Applications of density functional theory calculations to lithium carbenoids and magnesium carbenoids / Tsutomu Kimura
- On the prediction of thermoelectric properties of low-dimensional materials by density functional theory / P. Boulet and M.C. Record
- On the use of DFT computations to the radical scavenging activity studies of natural phenolic compounds / Nikolaos Nenadis and Maria Z. Tsimidou
- Polarizability of C60/C70fullerene [2+1]-and [1+1]-adducts : a DFT-prognosis / Denis Sh. Sabirov
- The application of density functional theory to calculation of properties of environmentally important speciesdi-and trimethylnaphthalenes / Bojana D. Ostojić and Dragana S. Đorđević
- Transport of organic materials from molecules to organic semiconductors / Kenji Hirose
- Modern density functional theory a useful tool for computational chemists / Reinaldo Pis Diez
- Alloy-based design of materials from first principles : an application to functional hard coatings / David Holec, Liangcai Zhou, Richard Rachbauerand Paul H. Mayrhofer
- Energy density functional theory in nuclear physics / Yoritaka Iwata and Joachim A. Maruhn.