乐胖代购免代理版

{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2023,9,13]],"date-time":"2023-09-13T05:15:11Z","timestamp":1694582111419},"reference-count":44,"publisher":"Wiley","issue":"13","license":[{"start":{"date-parts":[[2008,5,16]],"date-time":"2008-05-16T00:00:00Z","timestamp":1210896000000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J Comput Chem"],"published-print":{"date-parts":[[2008,10]]},"abstract":"Abstract<\/jats:title>First principles density functional theory calculations were carried out for the series of metal\u2010rich compounds, LiPt2<\/jats:sub>, LiPt, and Li2<\/jats:sub>Pt, and elemental Pt for comparison, to probe the bonding picture that captures the essence of their electronic structures. Our analysis shows that the 5d\u2010electron configuration of Pt in these compounds is close to (5d)10<\/jats:sup>, and the electrons released from the Li atoms in the Li\/Pt binary compounds are delocalized among the Pt0<\/jats:sup> atoms and Li+<\/jats:sup> ions through the interactions of the Pt 5d orbitals of each Pt with the Pt 6s\/6p of neighboring Pt atoms and the Li 2s\/2p orbitals of neighboring Li atoms. The electron counting schemes best representing the electronic structures of Pt metal, LiPt2<\/jats:sub>, LiPt and Li2<\/jats:sub>Pt are Pt0<\/jats:sup> (d10<\/jats:sup>), Li+<\/jats:sup>[Pt0<\/jats:sup> (d10<\/jats:sup>)]2<\/jats:sub>(e\u2212<\/jats:sup>), Li+<\/jats:sup>[Pt0<\/jats:sup> (d10<\/jats:sup>)](e\u2212<\/jats:sup>), and (Li+<\/jats:sup>)2<\/jats:sub>[Pt0<\/jats:sup> (d10<\/jats:sup>)](2e\u2212<\/jats:sup>), respectively, and hence the Pt atoms of the Li\/Pt binary compounds are predicted to exist as partially negative anions. \u00a9 2008 Wiley Periodicals, Inc. J Comput Chem 2008<\/jats:p>","DOI":"10.1002\/jcc.21020","type":"journal-article","created":{"date-parts":[[2008,5,16]],"date-time":"2008-05-16T21:46:13Z","timestamp":1210974373000},"page":"2154-2160","source":"Crossref","is-referenced-by-count":11,"title":["Analysis of electronic structures and chemical bonding of metal\u2010rich compounds. I. Density functional study of Pt metal, LiPt_{2<\/sub>, LiPt, and Li_{2<\/sub>Pt"],"prefix":"10.1002","volume":"29","author":[{"given":"Changhoon","family":"Lee","sequence":"first","affiliation":[]},{"given":"Myung\u2010Hwan","family":"Whangbo","sequence":"additional","affiliation":[]},{"given":"J\u00fcrgen","family":"K\u00f6hler","sequence":"additional","affiliation":[]}],"member":"311","published-online":{"date-parts":[[2008,5,16]]},"reference":[{"key":"e_1_2_6_2_2","doi-asserted-by":"publisher","DOI":"10.1038\/152215a0"},{"key":"e_1_2_6_2_3","doi-asserted-by":"publisher","DOI":"10.1016\/0022-3697(62)90006-9"},{"key":"e_1_2_6_2_4","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.12.3008"},{"key":"e_1_2_6_2_5","doi-asserted-by":"publisher","DOI":"10.1088\/0305-4608\/7\/1\/017"},{"key":"e_1_2_6_2_6","doi-asserted-by":"publisher","DOI":"10.1039\/C39780000905"},{"key":"e_1_2_6_3_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.solidstatesciences.2007.12.001"},{"key":"e_1_2_6_3_3","doi-asserted-by":"publisher","DOI":"10.1021\/cm703590d"},{"key":"e_1_2_6_4_2","doi-asserted-by":"publisher","DOI":"10.1002\/ange.200352314"},{"key":"e_1_2_6_4_3","doi-asserted-by":"publisher","DOI":"10.1002\/anie.200352314"},{"key":"e_1_2_6_5_2","doi-asserted-by":"publisher","DOI":"10.1002\/1521-3757(20000602)112:11<2077::AID-ANGE2077>3.0.CO;2-P"},{"key":"e_1_2_6_5_3","doi-asserted-by":"publisher","DOI":"10.1002\/1521-3773(20000602)39:11<1998::AID-ANIE1998>3.0.CO;2-X"},{"key":"e_1_2_6_5_4","doi-asserted-by":"publisher","DOI":"10.1021\/ja044389s"},{"key":"e_1_2_6_5_5","doi-asserted-by":"publisher","DOI":"10.1002\/1521-3749(200102)627:2<144::AID-ZAAC144>3.0.CO;2-K"},{"key":"e_1_2_6_5_6","doi-asserted-by":"publisher","DOI":"10.1021\/ja053280x"},{"key":"e_1_2_6_6_2","doi-asserted-by":"publisher","DOI":"10.1002\/ange.200602712"},{"key":"e_1_2_6_6_3","doi-asserted-by":"publisher","DOI":"10.1002\/anie.200602712"},{"key":"e_1_2_6_7_2","doi-asserted-by":"publisher","DOI":"10.1107\/S0567740878010742"},{"key":"e_1_2_6_8_2","doi-asserted-by":"publisher","DOI":"10.1021\/ja0401186"},{"key":"e_1_2_6_9_2","doi-asserted-by":"publisher","DOI":"10.1016\/0022-5088(68)90141-0"},{"key":"e_1_2_6_10_2","first-page":"137","volume":"37","author":"Nowotny H.","year":"1946","journal-title":"Z Metallkd"},{"key":"e_1_2_6_11_2","doi-asserted-by":"publisher","DOI":"10.1016\/0022-5088(79)90186-3"},{"key":"e_1_2_6_12_2","doi-asserted-by":"publisher","DOI":"10.1016\/0022-5088(75)90133-2"},{"key":"e_1_2_6_13_2","first-page":"363","volume":"623","author":"Bronger W.","year":"1997","journal-title":"Z Anorg Allg Chem"},{"key":"e_1_2_6_14_2","doi-asserted-by":"publisher","DOI":"10.1021\/ja01508a062"},{"key":"e_1_2_6_15_2","doi-asserted-by":"publisher","DOI":"10.1016\/0022-5088(84)90401-6"},{"key":"e_1_2_6_16_2","first-page":"1042","volume-title":"Structural Inorganic Chemistry","author":"Wells A. 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