Transformation of potential energy surfaces for estimating isotopic shifts in anharmonic vibrational frequency calculations
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.4874849
Reference63 articles.
1. Cubic force constants and equilibrium geometry of methane from Hartree–Fock and correlated wavefunctions
2. The Infra-Red Spectra of Polyatomic Molecules. Part II
3. Ab initio calculations of force fields for H2CN and C1HCN and vibrational energies of H2CN
4. Vibrational self-consistent field method for many-mode systems: A new approach and application to the vibrations of CO adsorbed on Cu(100)
5. Vibrational wave functions and spectroscopy of (H2O)n,n=2,3,4,5: Vibrational self‐consistent field with correlation corrections
Cited by 19 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. Zero-Point-Energy Driven Isotopic Exchange of the [H3O]− anion Probed by Mid-Infrared Action Spectroscopy;Journal of the American Chemical Society;2024-07-25
2. Ab initio calculations on the X∼2B1 → X∼1A1 photoelectron spectrum of thioformaldehyde negative ion;Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy;2024-01
3. Adaptive basis sets for practical quantum computing;International Journal of Quantum Chemistry;2023-04-05
4. Determination of spectroscopic constants from rovibrational configuration interaction calculations;The Journal of Chemical Physics;2022-10-21
5. Parity-violation effects in the vibrational spectra of CHFClBr and CDFClBr;Physical Review A;2021-04-22
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