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Phys."],"abstract":"<jats:p>\n                    <jats:sup>1<\/jats:sup>\n                    H and\n                    <jats:sup>13<\/jats:sup>\n                    C chemical shifts of 35 small, rigid molecules were measured under standardized conditions in CDCl\n                    <jats:sub>3<\/jats:sub>\n                    and in CCl\n                    <jats:sub>4<\/jats:sub>\n                    . Specific solvent interactions lead to chemical shift differences that cannot be reproduced by DFT in implicit solvent.\n                  <\/jats:p>","DOI":"10.1039\/d2cp03205h","type":"journal-article","created":{"date-parts":[[2022,9,14]],"date-time":"2022-09-14T04:01:19Z","timestamp":1663128079000},"page":"23551-23560","update-policy":"https:\/\/doi.org\/10.1039\/rsc_crossmark_policy","source":"Crossref","is-referenced-by-count":10,"title":["Impact of solvent interactions on\n                    <sup>1<\/sup>\n                    H and\n                    <sup>13<\/sup>\n                    C chemical shifts investigated using DFT and a reference dataset recorded in CDCl\n                    <sub>3<\/sub>\n                    and CCl\n                    <sub>4<\/sub>"],"prefix":"10.1039","volume":"24","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-2919-0939","authenticated-orcid":false,"given":"Thomas","family":"Stadelmann","sequence":"first","affiliation":[{"name":"Department of Chemistry and Applied Biosciences, ETH Z\u00fcrich, Vladimir-Prelog-Weg 1-5, 8093 Z\u00fcrich, Switzerland"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1263-6458","authenticated-orcid":false,"given":"Chantal","family":"Balmer","sequence":"additional","affiliation":[{"name":"Department of Chemistry and Applied Biosciences, ETH Z\u00fcrich, Vladimir-Prelog-Weg 1-5, 8093 Z\u00fcrich, Switzerland"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1893-4031","authenticated-orcid":false,"given":"Sereina","family":"Riniker","sequence":"additional","affiliation":[{"name":"Department of Chemistry and Applied Biosciences, ETH Z\u00fcrich, Vladimir-Prelog-Weg 1-5, 8093 Z\u00fcrich, Switzerland"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1507-219X","authenticated-orcid":false,"given":"Marc-Olivier","family":"Ebert","sequence":"additional","affiliation":[{"name":"Department of Chemistry and Applied Biosciences, ETH Z\u00fcrich, Vladimir-Prelog-Weg 1-5, 8093 Z\u00fcrich, Switzerland"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"292","published-online":{"date-parts":[[2022]]},"reference":[{"key":"D2CP03205H\/cit1\/1","doi-asserted-by":"crossref","first-page":"5083","DOI":"10.1021\/acs.jctc.5b00856","volume":"11","author":"Kwan","year":"2015","journal-title":"J. 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