Vibrational zero-point energies and thermodynamic functions beyond the harmonic approximation
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.1637580
Reference77 articles.
1. Gaussian‐2 theory for molecular energies of first‐ and second‐row compounds
2. Gaussian-3 (G3) theory for molecules containing first and second-row atoms
3. Gaussian-3 theory using density functional geometries and zero-point energies
4. A complete basis set model chemistry. II. Open‐shell systems and the total energies of the first‐row atoms
5. A complete basis set model chemistry. V. Extensions to six or more heavy atoms
Cited by 493 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. Rapid reconstruction of nickel iron hydrogen cyanamide with in-situ produced proton acceptor for efficient oxygen evolution;Applied Catalysis B: Environment and Energy;2025-02
2. Accurate Vibrational and Ro-Vibrational Contributions to the Properties of Large Molecules by a New Engine Employing Curvilinear Internal Coordinates and Vibrational Perturbation Theory to Second Order;Journal of Chemical Theory and Computation;2024-08-31
3. Norcaradiene–Cycloheptatriene Equilibrium: A Heavy-Atom Quantum Tunneling Case;The Journal of Organic Chemistry;2024-06-18
4. Revealing the Reaction Network for Dimethyl Maleate Hydrogenation on the Active Sites of Cu/ZnO Catalysts Combining DFT with kMC Analysis;ACS Catalysis;2024-05-29
5. Proton relay in hydrogen-bond networks promotes alkaline hydrogen evolution electrocatalysis;2024-05-20
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