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GrowBag graphs for keyword ? (Num. hits/coverage)
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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. ![Search on Bibsonomy](Pics/bibsonomy.png) |
ICCS (2) ![In: Computational Science - ICCS 2009, 9th International Conference, Baton Rouge, LA, USA, May 25-27, 2009, Proceedings, Part II, pp. 151-159, 2009, Springer, 978-3-642-01972-2. The full citation details ...](Pics/full.jpeg) |
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. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Comput. Phys. Commun. ![In: Comput. Phys. Commun. 286, pp. 108684, May 2023. The full citation details ...](Pics/full.jpeg) |
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. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Chem. ![In: J. Comput. Chem. 41(3), pp. 258-265, 2020. The full citation details ...](Pics/full.jpeg) |
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. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Chem. ![In: J. Comput. Chem. 35(18), pp. 1339-1346, 2014. The full citation details ...](Pics/full.jpeg) |
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. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Chem. ![In: J. Comput. Chem. 30(15), pp. 2433-2442, 2009. The full citation details ...](Pics/full.jpeg) |
2009 |
DBLP DOI BibTeX RDF |
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