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Venues (Conferences, Journals, ...)
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GrowBag graphs for keyword ? (Num. hits/coverage)
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The graphs summarize 1 occurrences of 1 keywords
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Results
Found 5 publication records. Showing 5 according to the selection in the facets
| Hits ?▲ |
Authors |
Title |
Venue |
Year |
Link |
Author keywords |
| 59 | Shruba Gangopadhyay, Artëm E. Masunov, Eliza Poalelungi, Michael N. Leuenberger |
Prediction of Exchange Coupling Constant for Mn12 Molecular Magnet Using Dft+U.  |
ICCS (2)  |
2009 |
DBLP DOI BibTeX RDF |
DFT+U, Heisenberg exchange constant, Molecular magnet, Magnetic Wheel, molecular spintronics, quantum computing |
| 12 | Fernando Gómez-Ortiz, Nayara Carral-Sainz, James Sifuna, Virginia Monteseguro, Ramón Cuadrado, Pablo García-Fernández, Javier Junquera |
Compatibility of DFT+U with non-collinear magnetism and spin-orbit coupling within a framework of numerical atomic orbitals. |
Comput. Phys. Commun. |
2023 |
DBLP DOI BibTeX RDF |
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| 12 | Berenike Stahl, Thomas Bredow |
Critical Assessment of the DFT + U Approach for the Prediction of Vanadium Dioxide Properties. |
J. Comput. Chem. |
2020 |
DBLP DOI BibTeX RDF |
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| 12 | Ariadna Blanca Romero, Piotr M. Kowalski, George Beridze, Hartmut Schlenz, Dirk Bosbach |
Performance of DFT+U method for prediction of structural and thermodynamic parameters of monazite-type ceramics. |
J. Comput. Chem. |
2014 |
DBLP DOI BibTeX RDF |
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| 12 | Hsin-Tsung Chen, Jee-Gong Chang, Hui-Lung Chen, Shin-Pon Ju |
Identifying the O2 diffusion and reduction mechanisms on CeO2 electrolyte in solid oxide fuel cells: A DFT + U study. |
J. Comput. Chem. |
2009 |
DBLP DOI BibTeX RDF |
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