Automating the Development of High-Dimensional Reactive Potential Energy Surfaces with the <scp>robosurfer</scp> Program System
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- Tibor Győri
- MTA-SZTE Lendület Computational Reaction Dynamics Research Group, Interdisciplinary Excellence Centre and Department of Physical Chemistry and Materials Science, Institute of Chemistry, University of Szeged, Rerrich Béla tér 1, Szeged H-6720, Hungary
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- Gábor Czakó
- MTA-SZTE Lendület Computational Reaction Dynamics Research Group, Interdisciplinary Excellence Centre and Department of Physical Chemistry and Materials Science, Institute of Chemistry, University of Szeged, Rerrich Béla tér 1, Szeged H-6720, Hungary
収録刊行物
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- Journal of Chemical Theory and Computation
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Journal of Chemical Theory and Computation 16 (1), 51-66, 2019-12-18
American Chemical Society (ACS)