Locally dense basis sets for chemical shift calculations
Author:
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Reference53 articles.
1. Coupled-Hartree-Fock calculations of susceptibilities and magnetic shielding constants
2. Coupled-Hartree-Fock calculations of susceptibilities and magnetic shielding constants
3. Ab initio calculation of magnetic properties of CO, the equilibrium geometry and the 13C, 17O and 27Al NMR shielding tensors of the system
4. Theory of magnetic susceptibilities and NMR chemical shifts in terms of localized quantities. II. Application to some simple molecules
5. Theory of magnetic susceptibilities and NMR chemical shifts in terms of localized quantities. 3. Application to hydrocarbons and other organic molecules
Cited by 270 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. Predicting 35-Cl electric field gradient tensors in crystalline solids using cluster and fragment-corrected planewave density functional theory;Solid State Nuclear Magnetic Resonance;2024-10
2. On the geometry dependence of the nuclear magnetic resonance chemical shift of mercury in thiolate complexes: A relativistic density functional theory study;Magnetic Resonance in Chemistry;2024-05-22
3. Exploring Alternate Methods for the Calculation of High-Level Vibrational Corrections of NMR Spin–Spin Coupling Constants;Journal of Chemical Theory and Computation;2024-02-01
4. Predicting 35-Cl Electric Field Gradient Tensors in Crystalline Solids Using Cluster and Fragment-Corrected Planewave Density Functional Theory;2024
5. On the specialization of Gaussian basis sets for core-dependent properties;The Journal of Chemical Physics;2023-08-08
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