Identifying promising metal–organic frameworks for heterogeneous catalysis via high‐throughput periodic density functional theory-Reference-Cited by-同舟云学术

登录注册会员服务联系我们

Identifying promising metal–organic frameworks for heterogeneous catalysis via high‐throughput periodic density functional theory

Published:2019-02-04 Issue:12 Volume:40 Page:1305-1318
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Rosen Andrew S.¹^ORCID,Notestein Justin M.¹^ORCID,Snurr Randall Q.¹^ORCID

Affiliation:

1. Department of Chemical and Biological Engineering Northwestern University Evanston Illinois 60208

Funder

U.S. Department of Defense

National Science Foundation

U.S. Department of Energy

Office of Science

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.25787

Reference99 articles.

1. Python Materials Genomics (pymatgen): A robust, open-source python library for materials analysis

2. The atomic simulation environment—a Python library for working with atoms

3. AiiDA: automated interactive infrastructure and database for computational science

4. Atomate: A high-level interface to generate, execute, and analyze computational materials science workflows

5. FireWorks: a dynamic workflow system designed for high‐throughput applications

Cited by 94 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. Unlocking electrocatalytic dynamics with anti-MXene borides monolayers for nitrate reduction;Applied Surface Science;2024-11

2. Fe/Cu MOFs of Fe2+-rich and Cu-doping via in situ reduction as nanozyme for peroxidase-like catalycity enhancement;Microchimica Acta;2024-07-22

3. Tuning structural and electronic properties of metal-organic framework 5 by metal substitution and linker functionalization;The Journal of Chemical Physics;2024-05-10

4. High-Throughput Screening of Covalent Organic Frameworks for Carbon Capture Using Machine Learning;Chemistry of Materials;2024-04-25

5. Generation mechanism of methyl acetate during gas-phase synthesis of vinyl acetate from ethylene on PdAu(100) surface: A combined DFT and kMC study;Molecular Catalysis;2024-04

同舟云学术

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