| scholarly article | Q13442814 |
| P8978 | DBLP publication ID | journals/jcc/IoannidisGK16 |
| P356 | DOI | 10.1002/JCC.24437 |
| P698 | PubMed publication ID | 27364957 |
| P50 | author | Heather J. Kulik | Q87742069 |
| Terry Z. H. Gani | Q87792140 | ||
| Efthymios I. Ioannidis | Q106293455 | ||
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| P433 | issue | 22 | |
| P921 | main subject | inorganic chemistry | Q11165 |
| automation | Q184199 | ||
| P304 | page(s) | 2106-2117 | |
| P577 | publication date | 2016-07-01 | |
| P1433 | published in | Journal of Computational Chemistry | Q3186908 |
| P1476 | title | molSimplify: A toolkit for automating discovery in inorganic chemistry | |
| P478 | volume | 37 |
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| Q64108046 | Bridging the Homogeneous-Heterogeneous Divide: Modeling Spin for Reactivity in Single Atom Catalysis |
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| Q90725124 | Seeing Is Believing: Experimental Spin States from Machine Learning Model Structure Predictions |
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