| dc.contributor.author | Di Tommaso, D | en_US |
| dc.contributor.author | Watson, KL | en_US |
| dc.date.accessioned | 2015-05-26T14:14:45Z | |
| dc.date.accessioned | 2016-04-15T13:44:26Z | |
| dc.date.issued | 2014-11-20 | en_US |
| dc.date.submitted | 2016-03-24T08:56:16.431Z | |
| dc.identifier.issn | 1089-5639 | en_US |
| dc.identifier.uri | http://qmro.qmul.ac.uk/xmlui/handle/123456789/7510 | |
| dc.identifier.uri | http://qmro.qmul.ac.uk/xmlui/handle/123456789/11876 | |
| dc.description.sponsorship | D.D.T. thanks the U.K.’s Royal Society for the award of a Royal Society Industry Fellowship. This research utilized Queen Mary’s MidPlus computational facilities, supported by QMUL Research-IT and funded by EPSRC grant EP/K000128/1. Via our membership of the U.K.’s HPC Materials Chemistry Consortium, which is funded by EPSRC (EP/L000202), this work made use of the facilities of HECToR and ARCHER, the U.K.’s national high-performance computing service, which is funded by the Office of Science and Technology through EPSRC’s High End Computing Programme. | en_US |
| dc.format.extent | 11098 - 11113 | en_US |
| dc.relation.ispartof | JOURNAL OF PHYSICAL CHEMISTRY A | en_US |
| dc.relation.replaces | http://qmro.qmul.ac.uk/xmlui/handle/123456789/7510 | |
| dc.relation.replaces | 123456789/7510 | |
| dc.rights | “The final publication is available at http://pubs.acs.org/doi/abs/10.1021/jp509100u” | |
| dc.title | Density Functional Theory Study of the Oligomerization of Carboxylic Acids | en_US |
| dc.type | Article | |
| dc.description.version | publisher pdf not permitted, withdrawn | |
| dc.identifier.doi | 10.1021/jp509100u | en_US |
| pubs.author-url | http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000345474500024&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=612ae0d773dcbdba3046f6df545e9f6a | en_US |
| pubs.issue | 46 | en_US |
| pubs.notes | Not known | en_US |
| pubs.publication-status | Published | en_US |
| pubs.volume | 118 | en_US |
