{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,5,4]],"date-time":"2026-05-04T18:28:14Z","timestamp":1777919294011,"version":"3.51.4"},"reference-count":23,"publisher":"AIP Publishing","issue":"12","content-domain":{"domain":["pubs.aip.org"],"crossmark-restriction":true},"short-container-title":[],"published-print":{"date-parts":[[2005,3,22]]},"abstract":"<jats:p>The electronic structure of LaNiSn and NdNiSn compounds and their hydrides has been studied by first principles calculations and variable temperature Sn119 M\u00f6ssbauer spectroscopy and the nature of the hydrogen-metal bond is discussed. The analysis of the electronic density of states (DOS) in both compounds before and after hydrogenation indicates an hybridization of the Sn, Ni, and H orbitals. The partial Sn-p DOS of LaNiSnH2 gives evidence for a lower symmetry of electron density around tin atoms compared to LaNiSn, according to the larger quadrupole splitting in the corresponding M\u00f6ssbauer spectrum. Theoretical and experimental M\u00f6ssbauer parameters agree very well for all samples.<\/jats:p>","DOI":"10.1063\/1.1867436","type":"journal-article","created":{"date-parts":[[2005,3,25]],"date-time":"2005-03-25T23:01:11Z","timestamp":1111791671000},"update-policy":"https:\/\/doi.org\/10.1063\/aip-crossmark-policy-page","source":"Crossref","is-referenced-by-count":5,"title":["The nature of the hydrogen bond in the LaNiSnH2 and NdNiSnH hydrides"],"prefix":"10.1063","volume":"122","author":[{"given":"T.","family":"Spataru","sequence":"first","affiliation":[{"name":"Universit\u00e0 di Padova INFM and Settore Materiali-DIM, , via Marzolo 9, 35131 Padova, Italy"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"P.","family":"Palade","sequence":"additional","affiliation":[{"name":"Universit\u00e0 di Padova INFM and Settore Materiali-DIM, , via Marzolo 9, 35131 Padova, Italy"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"G.","family":"Principi","sequence":"additional","affiliation":[{"name":"Universit\u00e0 di Padova INFM and Settore Materiali-DIM, , via Marzolo 9, 35131 Padova, Italy"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"P.","family":"Blaha","sequence":"additional","affiliation":[{"name":"Vienna University of Technology Institute of Materials Chemistry, , A-1060 Vienna, Austria"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"K.","family":"Schwarz","sequence":"additional","affiliation":[{"name":"Vienna University of Technology Institute of Materials Chemistry, , A-1060 Vienna, Austria"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"V.","family":"Kuncser","sequence":"additional","affiliation":[{"name":"National Institute for Physics of Materials , P.O. 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