F12-TZ-cCR: A Methodology for Faster and Still Highly Accurate Quartic Force Fields
Author:
Affiliation:
1. Department of Chemistry & Biochemistry, University of Mississippi, University, Mississippi 38677-1848, United States
Funder
Office of Integrative Activities
National Aeronautics and Space Administration
University of Mississippi
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.1c08355
Reference88 articles.
1. Diffusion Monte Carlo approaches for investigating the structure and vibrational spectra of fluxional systems
2. Accurate ab initio ro-vibronic spectroscopy of the X̃2Π CCN radical using explicitly correlated methods
3. A second-order perturbation theory route to vibrational averages and transition properties of molecules: General formulation and application to infrared and vibrational circular dichroism spectroscopies
4. Multimode calculations of rovibrational energies of C2H4and C2D4
5. Quantum Chemistry Meets Spectroscopy for Astrochemistry: Increasing Complexity toward Prebiotic Molecules
Cited by 44 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. Vibrational and Rovibrational Spectroscopic Data for the Ground and First-Excited States of Phosgene (COCl2), Formic Acid (HCOOH), and Chloroformic Acid (ClCOOH);The Journal of Physical Chemistry A;2024-09-10
2. On the Formation and Detectability of H2CNCN and Its Progenitors;The Astrophysical Journal;2024-08-23
3. A Possible Additional Formation Pathway for the Interstellar Diatomic SiS;The Astrophysical Journal;2024-08-01
4. Anharmonic Vibrational Spectroscopy of Germanium-Containing Clusters, GexC4–x and GexSi4–x (x = 0–4), for Interstellar Detection;The Journal of Physical Chemistry A;2024-06-28
5. Picking up Good Vibrations through Quartic Force Fields and Vibrational Perturbation Theory;The Journal of Physical Chemistry Letters;2024-06-14
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