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Phys."],"abstract":"<p>\n                    The structure and first hyperpolarizability of the lithium decahydroborate (Li@B\n                    <sub>10<\/sub>\n                    H\n                    <sub>14<\/sub>\n                    ) complex in chloroform and water in normal thermodynamic conditions have been investigated using sequential QM\/MM calculations by means of the ASEC-FEG method.\n                  <\/p>","DOI":"10.1039\/d0cp01268h","type":"journal-article","created":{"date-parts":[[2020,7,9]],"date-time":"2020-07-09T08:03:45Z","timestamp":1594281825000},"page":"17314-17324","update-policy":"https:\/\/doi.org\/10.1039\/rsc_crossmark_policy","source":"Crossref","is-referenced-by-count":8,"title":["Assessing the structure and first hyperpolarizability of Li@B\n                    <sub>10<\/sub>\n                    H\n                    <sub>14<\/sub>\n                    in solution: a sequential QM\/MM study using the ASEC\u2013FEG method"],"prefix":"10.1039","volume":"22","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-7135-2415","authenticated-orcid":false,"given":"Idney","family":"Brand\u00e3o","sequence":"first","affiliation":[{"name":"Instituto de F\u00edsica"},{"name":"Universidade Federal de Goi\u00e1s"},{"name":"Goi\u00e2nia-GO"},{"name":"Brazil"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5501-7801","authenticated-orcid":false,"given":"Tertius L.","family":"Fonseca","sequence":"additional","affiliation":[{"name":"Instituto de F\u00edsica"},{"name":"Universidade Federal de Goi\u00e1s"},{"name":"Goi\u00e2nia-GO"},{"name":"Brazil"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5788-0094","authenticated-orcid":false,"given":"Herbert C.","family":"Georg","sequence":"additional","affiliation":[{"name":"Instituto de F\u00edsica"},{"name":"Universidade Federal de Goi\u00e1s"},{"name":"Goi\u00e2nia-GO"},{"name":"Brazil"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6171-0028","authenticated-orcid":false,"given":"Marcos A.","family":"Castro","sequence":"additional","affiliation":[{"name":"Instituto de F\u00edsica"},{"name":"Universidade Federal de Goi\u00e1s"},{"name":"Goi\u00e2nia-GO"},{"name":"Brazil"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3336-3882","authenticated-orcid":false,"given":"Renato B.","family":"Pontes","sequence":"additional","affiliation":[{"name":"Instituto de F\u00edsica"},{"name":"Universidade Federal de Goi\u00e1s"},{"name":"Goi\u00e2nia-GO"},{"name":"Brazil"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"292","published-online":{"date-parts":[[2020]]},"reference":[{"key":"D0CP01268H-(cit1)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"601","DOI":"10.1021\/jp0480394","volume":"109","author":"Chen","year":"2005","journal-title":"J. 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