Hydrocarbon enthalpies of formation and ab initio calculations
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference17 articles.
1. Group equivalents for convertingab initio energies to enthalpies of formation
2. Structures and energies of the tricyclo[4.1.0.01,3]heptanes and the tetracyclo[4.2.1.02,905,9]nonanes. Extended group equivalents for converting ab initio energies to heats of formation
3. Atom equivalents for relatingab initioenergies to enthalpies of formation
4. Ab initio heats of formation of medium-sized hydrocarbons. 11. The benzenoid aromatics
Cited by 35 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. Gas-Phase Heat of Formation Values for Buckminsterfullerene (C60), C70 Fullerene (C70), Corannulene, Coronene, Sumanene, and Other Polycyclic Aromatic Hydrocarbons Calculated Using Density Functional Theory (M06 2X) Coupled with a Versatile Inexpensive Group-Equivalent Approach;The Journal of Physical Chemistry A;2018-08-02
2. Determination of Enthalpies of Formation of Fatty Acids and Esters by Density Functional Theory Calculations with an Empirical Correction;Industrial & Engineering Chemistry Research;2015-09-23
3. Vertical and adiabatic excitations in anthracene from quantum Monte Carlo: Constrained energy minimization for structural and electronic excited-state properties in the JAGP ansatz;The Journal of Chemical Physics;2015-06-07
4. Thermochemistry of mono- and disubstituted acetylenes and polyynes at the Gaussian-4 level of theory;Computational and Theoretical Chemistry;2011-09
5. Formation Enthalpies of Ions: Routine Prediction Using Atom Equivalents;Journal of Chemical Theory and Computation;2010-06-16
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