On the effect of core correlation on the geometry and harmonic frequencies of small polyatomic molecules
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference41 articles.
1. The anharmonic force field of ethylene, C2H4, by means of accurate ab initio calculations
2. On the performance of correlation consistent basis sets for the calculation of total atomization energies, geometries, and harmonic frequencies
3. Basis set convergence for geometry and harmonic frequencies. Are h functions enough?
4. How large is the effect of 1s correlation on the De, ωe, and re of N2?
5. Multireference CCI calculations on the bond distance and dissociation energies of methane
Cited by 150 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. Toward Accurate Quantum Chemical Methods for Molecules of Increasing Dimension: The New Family of Pisa Composite Schemes;The Journal of Physical Chemistry A;2024-06-07
2. PCS/Bonds and PCS0: Pick your molecule and get its accurate structure and ground state rotational constants at DFT cost;The Journal of Chemical Physics;2023-08-22
3. Accuracy Meets Feasibility for the Structures and Rotational Constants of the Molecular Bricks of Life: A Joint Venture of DFT and Wave-Function Methods;The Journal of Physical Chemistry Letters;2023-06-21
4. Influence of the complete basis set approximation, tight weighted‐core, and diffuse functions on the DLPNO‐CCSD ( T1 ) atomization energies of neutral H,C,O‐compounds;Journal of Computational Chemistry;2022-11-18
5. Semiexperimental equilibrium molecular structure of phthalic anhydride;Chemical Physics Letters;2022-05
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