The calculation of thermodynamic properties of molecules
Author:
Publisher
Royal Society of Chemistry (RSC)
Subject
General Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2010/CS/B809850F
Reference75 articles.
1. Molecular orbital theory of the electronic structure of organic compounds. V. Molecular theory of bond separation
2. A Hierarchy of Homodesmotic Reactions for Thermochemistry
3. MOPAC: A semiempirical molecular orbital program
4. Improved semiempirical heats of formation through the use of bond and group equivalents
5. Hydrocarbon enthalpies of formation and ab initio calculations
Cited by 98 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. Additive single atom values for thermodynamics III: Formation entropies and Gibbs energies for ionic solids – Hydrate and anhydrate data, and a correction;Chemical Thermodynamics and Thermal Analysis;2024-09
2. Geometric deep learning for molecular property predictions with chemical accuracy across chemical space;Journal of Cheminformatics;2024-08-13
3. AI for organic and polymer synthesis;Science China Chemistry;2024-06-26
4. Toward Accurate Quantum Mechanical Thermochemistry: (1) Extensible Implementation and Comparison of Bond Additivity Corrections and Isodesmic Reactions;The Journal of Physical Chemistry A;2024-05-16
5. Temperature dependence investigations of molecular interactions and excess thermodynamic parameters of binary mixtures of ionic liquids and water using Flory's statistical theory;Vietnam Journal of Chemistry;2024-04-19
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