Analysis of Electron Correlation Effects and Contributions of NMR J-Couplings from Occupied Localized Molecular Orbitals
Author:
Affiliation:
1. Department of Physics, Natural and Exact Science Faculty, Northeastern University of Argentina, Corrientes, Argentina
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp209850z
Reference50 articles.
1. Ab Initio Methods for the Calculation of NMR Shielding and Indirect Spin−Spin Coupling Constants
2. The quantum-chemical calculation of NMR indirect spin–spin coupling constants
3. Recent Advances in Theoretical Calculations of Indirect Spin–Spin Coupling Constants
4. Stability Conditions for the Solutions of the Hartree—Fock Equations for Atomic and Molecular Systems. Application to the Pi‐Electron Model of Cyclic Polyenes
Cited by 12 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. Computational 1 H and 13 C NMR in structural and stereochemical studies;Magnetic Resonance in Chemistry;2022-05-31
2. Quantum Chemical Approaches to the Calculation of NMR Parameters: From Fundamentals to Recent Advances;Magnetochemistry;2022-05-05
3. On the invariance of polarization propagators at SOPPA level of approach under unitary transformations of MOs;Chemical Physics Letters;2020-12
4. Theoretical developments and applications of polarization propagators;International Journal of Quantum Chemistry;2018-10-08
5. Theoretical calculations of carbon-hydrogen spin-spin coupling constants;Progress in Nuclear Magnetic Resonance Spectroscopy;2018-10
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