| dc.contributor.author | Dimitrova, IM | |
| dc.contributor.author | Slavchov, RI | |
| dc.contributor.author | Ivanov, T | |
| dc.contributor.author | Mosbach, S | |
| dc.date.accessioned | 2019-02-28T11:50:19Z | |
| dc.date.available | 2019-02-28T11:50:19Z | |
| dc.date.issued | 2017-05-14 | |
| dc.identifier.citation | Comment on “A spherical cavity model for quadrupolar dielectrics” [J. Chem. Phys. 144, 114502 (2016)] Iglika M. Dimitrova1, Radomir I. Slavchov1,2,a), Tzanko Ivanov3, and Sebastian Mosbach2 The Journal of Chemical Physics 2017 146:18 | en_US |
| dc.identifier.issn | 0021-9606 | |
| dc.identifier.other | ARTN 187101 | |
| dc.identifier.other | ARTN 187101 | |
| dc.identifier.other | ARTN 187101 | |
| dc.identifier.uri | https://qmro.qmul.ac.uk/xmlui/handle/123456789/55610 | |
| dc.description.abstract | Recently, a spherical cavity (Onsager) model for quadrupolar dielectrics has been proposed and used to calculate the macroscopic quadrupolarizabilities of several common solvents.1 In this Comment, one of the boundary conditions used in Ref. 1 (for continuity of the displacement field) is revised to account for the surface displacement field that occurs at non-homogeneously polarized interfaces. We show that the revised condition leads to more reasonable results. | en_US |
| dc.publisher | AIP Publishing LLC | en_US |
| dc.relation.ispartof | JOURNAL OF CHEMICAL PHYSICS | |
| dc.title | Comment on "A spherical cavity model for quadrupolar dielectrics" [J. Chem. Phys. 144, 114502 (2016)] | en_US |
| dc.type | Article | en_US |
| dc.rights.holder | © 2017 Author(s). | |
| dc.identifier.doi | 10.1063/1.4979717 | |
| pubs.author-url | http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000401368900040&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=612ae0d773dcbdba3046f6df545e9f6a | en_US |
| pubs.issue | 18 | en_US |
| pubs.notes | Not known | en_US |
| pubs.publication-status | Published | en_US |
| pubs.volume | 146 | en_US |
| rioxxterms.funder | Default funder | en_US |
| rioxxterms.identifier.project | Default project | en_US |
