Ab Initio Group Contribution Method for Activation Energies of Hydrogen Abstraction Reactions-Reference-Cited by-同舟云学术

登录注册会员服务联系我们

Ab Initio Group Contribution Method for Activation Energies of Hydrogen Abstraction Reactions

Published:2006-01-16 Issue:1 Volume:7 Page:188-199
ISSN:1439-4235
Container-title:ChemPhysChem
language:en
Short-container-title:ChemPhysChem

Author:

Saeys Mark,Reyniers Marie-Françoise,Van Speybroeck Veronique,Waroquier Michel,Marin Guy B.

Publisher

Wiley

Subject

Physical and Theoretical Chemistry,Atomic and Molecular Physics, and Optics

Reference65 articles.

1. Computer generation of reaction schemes and rate equations for thermal cracking

2. Computer generation of a network of elementary steps for coke formation during the thermal cracking of hydrocarbons

3. Rate-Based Construction of Kinetic Models for Complex Systems

4. Computer Construction of Detailed Chemical Kinetic Models for Gas-Phase Reactors

5. Ab Initio Calculations for Hydrocarbons: Enthalpy of Formation, Transition State Geometry, and Activation Energy for Radical Reactions

Cited by 67 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. A machine learning based approach to reaction rate estimation;Reaction Chemistry & Engineering;2024

2. The Fate of Alkylated Aromatics During Pyrolysis and Steam Cracking: A Kinetic Modeling Study of Ethylbenzene and N-Propyl Benzene;2023

3. Impact of the size and degree of branching of alkanes on the rate rules approach: The case of isomerizations;Proceedings of the Combustion Institute;2022-09

4. Fast Predictions of Reaction Barrier Heights: Toward Coupled-Cluster Accuracy;The Journal of Physical Chemistry A;2022-06-21

5. Chemical structure based model to predict nitrate radical‒mediated degradation of saturated organic contaminants in troposphere;Atmospheric Pollution Research;2022-02

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