Environmental theoretical calculation for non-periodic systems
| dc.contributor.author | Li, F | |
| dc.contributor.author | Borthwick, AGL | |
| dc.contributor.author | Liu, W | |
| dc.date.accessioned | 2023-08-16T09:12:59Z | |
| dc.date.available | 2023-08-16T09:12:59Z | |
| dc.date.issued | 2023-06-07 | |
| dc.identifier.issn | 2589-5974 | |
| dc.identifier.issn | 2589-5974 | |
| dc.identifier.uri | https://pearl.plymouth.ac.uk/handle/10026.1/21236 | |
| dc.description.abstract |
Environmental theoretical calculation aims to use computer simulation to assist in solving environmental problems. Herein, we present the guiding principles of environmental theoretical calculation for non-periodic systems. A summary is given of recent progress towards the use of environmental theoretical calculation to reveal the degradation/transformation mechanisms of contaminants in reactions. | |
| dc.format.extent | 410-414 | |
| dc.language | en | |
| dc.publisher | Elsevier BV | |
| dc.subject | 34 Chemical Sciences | |
| dc.subject | 15 Life on Land | |
| dc.title | Environmental theoretical calculation for non-periodic systems | |
| dc.type | journal-article | |
| dc.type | Short Survey | |
| plymouth.issue | 6 | |
| plymouth.volume | 5 | |
| plymouth.publication-status | Published | |
| plymouth.journal | Trends in Chemistry | |
| dc.identifier.doi | 10.1016/j.trechm.2023.03.009 | |
| plymouth.organisational-group | |Plymouth | |
| plymouth.organisational-group | |Plymouth|Faculty of Science and Engineering | |
| plymouth.organisational-group | |Plymouth|Faculty of Science and Engineering|School of Engineering, Computing and Mathematics | |
| plymouth.organisational-group | |Plymouth|Users by role | |
| plymouth.organisational-group | |Plymouth|Users by role|Academics | |
| dcterms.dateAccepted | 2023-01-01 | |
| dc.date.updated | 2023-08-16T09:12:59Z | |
| dc.rights.embargodate | 2023-8-30 | |
| dc.identifier.eissn | 2589-5974 | |
| dc.rights.embargoperiod | forever | |
| rioxxterms.versionofrecord | 10.1016/j.trechm.2023.03.009 |
