Zero-Cost Estimation of Zero-Point Energies
Author:
Affiliation:
1. MTA-ELTE Complex Chemical Systems Research Group, P.O. Box 32, H-1518 Budapest 112, Hungary
2. Laboratory of Molecular Structure and Dynamics, Institute of Chemistry, Eötvös University, Pázmány Péter sétány 1/A, H-1117 Budapest, Hungary
Funder
OTKA
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.5b07156
Reference72 articles.
1. Thermodynamics of Gaseous Hydrocarbons: Ethane, Ethylene, Propane, Propylene,n‐Butane, Isobutane, 1‐Butene,CisandTrans2‐Butenes, Isobutene, and Neopentane (Tetramethylmethane)
2. 295. Binding energies in hydrocarbons
3. Electronic Correlation in Molecules. III. The Paraffin Hydrocarbons1
4. The Physical Properties of Molecules in Relation to Their Structure. I. Relations between Additive Molecular Properties in Several Homologous Series
5. A Sum Rule for the Vibrational Frequencies of Homologs
Cited by 11 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. Ab Initio Calculations;Computational Chemistry;2024
2. The Concept of the Potential Energy Surface;Computational Chemistry;2024
3. Concordant Mode Approach for Molecular Vibrations;Journal of the American Chemical Society;2022-12-15
4. Toward size-dependent thermodynamics of nanoparticles from quantum chemical calculations of small atomic clusters: a case study of (B2O3)n;Physical Chemistry Chemical Physics;2022
5. Accessible approaches for vibrational zero point energy calculation of organoboron compounds;Vibrational Spectroscopy;2020-09
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