Graph-Driven Reaction Discovery: Progress, Challenges, and Future Opportunities
Author:
Affiliation:
1. Department of Chemistry, University of Warwick, CoventryCV4 7AL, United Kingdom
Funder
Engineering and Physical Sciences Research Council
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.2c06408
Reference142 articles.
1. A Tutorial on Chemical Reaction Network Dynamics
2. Reaction Networks for Interstellar Chemical Modelling: Improvements and Challenges
3. Automated identification of energetically feasible mechanisms of complex reaction networks in heterogeneous catalysis: application to glycerol conversion on transition metals
4. Formamide reaction network in gas phase and solution via a unified theoretical approach: Toward a reconciliation of different prebiotic scenarios
5. To address surface reaction network complexity using scaling relations machine learning and DFT calculations
Cited by 21 articles. 订阅此论文施引文献 订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献
1. Contact-Map-Driven Exploration of Heterogeneous Protein-Folding Paths;Journal of Chemical Theory and Computation;2024-09-04
2. Reactant Discovery with an Ab Initio Nanoreactor: Exploration of Astrophysical N-Heterocycle Precursors and Formation Pathways;ACS Earth and Space Chemistry;2024-08-09
3. Nanoscale chemical reaction exploration with a quantum magnifying glass;Nature Communications;2024-06-22
4. SCINE—Software for chemical interaction networks;The Journal of Chemical Physics;2024-06-10
5. Predicting Long-Time-Scale Kinetics under Variable Experimental Conditions with Kinetica.jl;Journal of Chemical Theory and Computation;2024-06-03
1.学者识别学者识别
2.学术分析学术分析
3.人才评估人才评估
"同舟云学术"是以全球学者为主线，采集、加工和组织学术论文而形成的新型学术文献查询和分析系统，可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容，当前同舟云学术共收录了国内外主流学术期刊6万余种，收集的期刊论文及会议论文总量共计约1.5亿篇，并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询！咨询电话：010-8811{复制后删除}0370
www.globalauthorid.com
TOP
Copyright © 2019-2024 北京同舟云网络信息技术有限公司 京公网安备11010802033243号 京ICP备18003416号-3