ORCID
- Borthwick, Alistair: 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.
DOI
10.1016/j.trechm.2023.03.009
Publication Date
2023-06-07
Publication Title
Trends in Chemistry
Volume
5
Issue
6
Embargo Period
2023-08-30
Organisational Unit
School of Engineering, Computing and Mathematics
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: https://doi.org/10.1016/j.trechm.2023.03.009
