First-principles-based molecular simulation of heterogeneous catalytic surface chemistry
Author:
Publisher
Elsevier BV
Subject
Computer Science Applications,General Chemical Engineering
Reference87 articles.
1. The Microkinetics of Heterogeneous Catalysis;Dumesic,1993
2. Microkinetics of Water−Gas Shift over Sulfided Mo/Al2O3 Catalysts
3. The Kinetics of Ammonia Synthesis over Ru-Based Catalysts
4. Atomic and Molecular Oxygen as Chemical Precursors in the Oxidation of Ammonia by Copper
Cited by 45 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. Kinetic Monte Carlo simulation of selective area growth of mix deposited organic molecules;Acta Physica Sinica;2024
2. Speeding up the Detection of Adsorbate Lateral Interactions in Graph-Theoretical Kinetic Monte Carlo Simulations;The Journal of Physical Chemistry A;2023-11-21
3. Theoretical insight into the polymerization of ethylene on the surface of 3A zeolite: A DFT + kMC study;Chemical Engineering Science;2023-11
4. Unraveling the Detailed Interactions between the Surface Species and Nanoparticle Catalyst by a Temperature-Programed Desorption Spectrum at the Molecular Level via a Multi-Scale Simulation and Modeling Experiment;The Journal of Physical Chemistry C;2023-03-13
5. Large-scale benchmarks of the time-warp/graph-theoretical kinetic Monte Carlo approach for distributed on-lattice simulations of catalytic kinetics;Physical Chemistry Chemical Physics;2023
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