<?xml version="1.0" encoding="UTF-8"?><xml><records><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Li, Fan</style></author><author><style face="normal" font="default" size="100%">Borthwick, Alistair GL</style></author><author><style face="normal" font="default" size="100%">Liu, Wen</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Environmental theoretical calculation for non-periodic systems</style></title><secondary-title><style face="normal" font="default" size="100%">Trends in Chemistry</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">contaminant</style></keyword><keyword><style  face="normal" font="default" size="100%">environmental chemistry</style></keyword><keyword><style  face="normal" font="default" size="100%">non-periodic system</style></keyword><keyword><style  face="normal" font="default" size="100%">Theoretical calculation</style></keyword><keyword><style  face="normal" font="default" size="100%">water chemistry</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2023</style></year></dates><urls><web-urls><url><style face="normal" font="default" size="100%">https://www.sciencedirect.com/science/article/pii/S2589597423000904</style></url></web-urls></urls><number><style face="normal" font="default" size="100%">6</style></number><volume><style face="normal" font="default" size="100%">5</style></volume><pages><style face="normal" font="default" size="100%">410-414</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">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.</style></abstract></record></records></xml>