ORCID
- Alistair G.L. Borthwick: 0000-0001-6053-7764
Document Type
Article
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.
DOI Link
Publication Date
2023-06-07
Publication Title
Trends in Chemistry
Volume
5
Issue
6
Acceptance Date
2023-01-01
Deposit Date
2023-08-16
Embargo Period
2023-08-30
First Page
410
Last Page
414
Recommended Citation
Li, F., Borthwick, A., & Liu, W. (2023) 'Environmental theoretical calculation for non-periodic systems', Trends in Chemistry, 5(6), pp. 410-414. Available at: 10.1016/j.trechm.2023.03.009
