ORCID
- Alistair G.L. Borthwick: 0000-0001-6053-7764
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.
Publication Date
2023-06-07
Publication Title
Trends in Chemistry
Volume
5
Issue
6
Embargo Period
2023-08-30
First Page
410
Last Page
414
Recommended Citation
Liu, W., Li, F., & Borthwick, A. (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
