{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,20]],"date-time":"2026-08-20T15:16:52Z","timestamp":1787239012335,"version":"build-2736575974"},"reference-count":22,"publisher":"Wiley","issue":"22","license":[{"start":{"date-parts":[[2022,3,4]],"date-time":"2022-03-04T00:00:00Z","timestamp":1646352000000},"content-version":"am","delay-in-days":317,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#am"},{"start":{"date-parts":[[2021,4,21]],"date-time":"2021-04-21T00:00:00Z","timestamp":1618963200000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"funder":[{"DOI":"10.13039\/100006151","name":"Basic Energy Sciences","doi-asserted-by":"publisher","award":["ERKCC96"],"award-info":[{"award-number":["ERKCC96"]}],"id":[{"id":"10.13039\/100006151","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["Angew Chem Int Ed"],"published-print":{"date-parts":[[2021,5,25]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>\n                    Although the coordinates of the metal atoms can be accurately determined by X\u2010ray crystallography, locations of hydrides in metal nanoclusters are challenging to determine. In principle, neutron crystallography can be employed to pinpoint the hydride positions, but it requires a large crystal and a neutron source, which prevents its routine use. Here, we present a deep\u2010learning approach that can accelerate determination of hydride locations in single\u2010crystal X\u2010ray structure of metal nanoclusters of different sizes. We demonstrate the efficiency of our method in predicting the most probable hydride sites and their combinations to determine the total structure for two recently reported copper nanoclusters, [Cu\n                    <jats:sub>25<\/jats:sub>\n                    H\n                    <jats:sub>10<\/jats:sub>\n                    (SPhCl\n                    <jats:sub>2<\/jats:sub>\n                    )\n                    <jats:sub>18<\/jats:sub>\n                    ]\n                    <jats:sup>3\u2212<\/jats:sup>\n                    and [Cu\n                    <jats:sub>61<\/jats:sub>\n                    (S\n                    <jats:sup>t<\/jats:sup>\n                    Bu)\n                    <jats:sub>26<\/jats:sub>\n                    S\n                    <jats:sub>6<\/jats:sub>\n                    Cl\n                    <jats:sub>6<\/jats:sub>\n                    H\n                    <jats:sub>14<\/jats:sub>\n                    ]\n                    <jats:sup>+<\/jats:sup>\n                    whose hydride locations have not been determined by neutron diffraction. Our method can be generalized and applied to other metal systems, thereby eliminating a bottleneck in atomically precise metal hydride nanochemistry.\n                  <\/jats:p>","DOI":"10.1002\/anie.202100407","type":"journal-article","created":{"date-parts":[[2021,3,4]],"date-time":"2021-03-04T14:29:47Z","timestamp":1614868187000},"page":"12289-12292","update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":40,"title":["Deep Learning Accelerated Determination of Hydride Locations in Metal Nanoclusters"],"prefix":"10.1002","volume":"60","author":[{"given":"Song","family":"Wang","sequence":"first","affiliation":[{"name":"Department of Chemistry University of California  Riverside CA 92521 USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Zili","family":"Wu","sequence":"additional","affiliation":[{"name":"Chemical Sciences Division Oak Ridge National Laboratory  Oak Ridge TN 37831 USA"},{"name":"Center for Nanophase Materials Sciences Oak Ridge National Laboratory  Oak Ridge TN 37831 USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Sheng","family":"Dai","sequence":"additional","affiliation":[{"name":"Chemical Sciences Division Oak Ridge National Laboratory  Oak Ridge TN 37831 USA"},{"name":"Department of Chemistry The University of Tennessee  Knoxville TN 37996 USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5167-0731","authenticated-orcid":false,"given":"De\u2010en","family":"Jiang","sequence":"additional","affiliation":[{"name":"Department of Chemistry University of California  Riverside CA 92521 USA"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2021,4,21]]},"reference":[{"key":"e_1_2_2_1_1","doi-asserted-by":"crossref","first-page":"15012","DOI":"10.1038\/natrevmats.2016.91","volume":"2","author":"Mohtadi R.","year":"2016","journal-title":"Nat. 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