✦ LIBER ✦
Parameter Calibration of Transition-Metal Elements for the Spin-Polarized Self-Consistent-Charge Density-Functional Tight-Binding (DFTB) Method: Sc, Ti, Fe, Co, and Ni
✍ Scribed by Zheng, Guishan; Witek, Henryk A.; Bobadova-Parvanova, Petia; Irle, Stephan; Musaev, Djamaladdin G.; Prabhakar, Rajeev; Morokuma, Keiji; Lundberg, Marcus; Elstner, Marcus; Köhler, Christof; Frauenheim, Thomas
- Book ID
- 118733743
- Publisher
- American Chemical Society
- Year
- 2007
- Tongue
- English
- Weight
- 527 KB
- Volume
- 3
- Category
- Article
- ISSN
- 1549-9618
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