MECHGEN: Computer Aided Generation and Reduction of Reaction Mechanisms
Author:
Affiliation:
1. Institute of Chemistry, Chemical Research Center, Hungarian Academy of Sciences, P.O. Box 17, H-1525 Budapest, Hungary
Publisher
American Chemical Society (ACS)
Subject
Computational Theory and Mathematics,Computer Science Applications,Information Systems,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/ci010365i
Reference42 articles.
1. Possible mechanisms for ethylene dimerisation derived by use of a new computer program
2. New computer program able to propose mechanistic schemes and secondary products for transformations catalyzed by transition metal complexes: possible mechanisms for hydroformylation of ethylene
3. Computer-generation of reaction paths and rate equations in the thermal cracking of normal and branched paraffins
4. Computer generation of reaction networks and calculation of product distributions in the hydroisomerization and hydrocracking of paraffins on Pt-containing bifunctional catalysts
Cited by 16 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. Iterative multiscale and multi-physics computations for operando catalyst nanostructure elucidation and kinetic modeling;iScience;2023-07
2. Discerning complex reaction networks using automated generators;AIChE Journal;2019-06-10
3. Kinetic modeling of the pyrolysis chemistry of fossil and alternative feedstocks;Computer Aided Chemical Engineering;2019
4. A Review of Kinetic Modeling Methodologies for Complex Processes;Oil & Gas Science and Technology – Revue d’IFP Energies nouvelles;2016-05
5. Influence of reaction mechanism accuracy on the chemical reactivity prediction of complex charring material in fire condition;Journal of Analytical and Applied Pyrolysis;2016-03
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