Finding reaction mechanisms, intuitive or otherwise-Reference-Cited by-同舟云学术

登录注册会员服务联系我们

Finding reaction mechanisms, intuitive or otherwise

Published:2017 Issue:3 Volume:15 Page:501-504
ISSN:1477-0520
Container-title:Organic & Biomolecular Chemistry
language:en
Short-container-title:Org. Biomol. Chem.

Author:

Dewyer Amanda L.¹²³^ORCID,Zimmerman Paul M.¹²³

Affiliation:

1. Department of Chemistry

2. University of Michigan

3. USA

Abstract

Mechanism discovery made possible through deterministic, computational reaction pathway searches.

Funder

Dow Chemical Company

National Science Foundation

Office of Naval Research

Publisher

Royal Society of Chemistry (RSC)

Subject

Organic Chemistry,Physical and Theoretical Chemistry,Biochemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2017/OB/C6OB02183B

Reference27 articles.

1. Quantum Mechanical Modeling of Catalytic Processes

2. Computational Studies of Synthetically Relevant Homogeneous Organometallic Catalysis Involving Ni, Pd, Ir, and Rh: An Overview of Commonly Employed DFT Methods and Mechanistic Insights

3. Computational organic chemistry

4. Density Functional Theory of Electronic Structure

5. Stabilization and Structure Calculations for Noncovalent Interactions in Extended Molecular Systems Based on Wave Function and Density Functional Theories

Cited by 76 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. Reproducing Reaction Mechanisms with Machine‐Learning Models Trained on a Large‐Scale Mechanistic Dataset;Angewandte Chemie;2024-09-03

2. Reproducing Reaction Mechanisms with Machine‐Learning Models Trained on a Large‐Scale Mechanistic Dataset;Angewandte Chemie International Edition;2024-09-02

3. Reactant Discovery with an Ab Initio Nanoreactor: Exploration of Astrophysical N-Heterocycle Precursors and Formation Pathways;ACS Earth and Space Chemistry;2024-08-09

4. With a little help from our (AI) friend: A general transition state sampling method for tropospheric hydrogen abstraction reactions;Atmospheric Environment;2024-07

5. Nanoscale chemical reaction exploration with a quantum magnifying glass;Nature Communications;2024-06-22

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