Investigating solvent effects on the magnetic properties of molybdate ions () with relativistic embedding
Author:
Affiliation:
1. Université de Lille, CNRS, UMR 8523 – PhLAM – Physique des Lasers Lille France
2. Centre of New Technologies University of Warsaw Warsaw Poland
Funder
Labex CaPPA
I-SITE ULNE project OVERSEE
CPER CLIMIBIO
Polish National Science Centre
French national supercomputing facilities
Publisher
Wiley
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics
Link
https://onlinelibrary.wiley.com/doi/pdf/10.1002/qua.26207
Reference87 articles.
1. Recent Developments in Absolute Shielding Scales for NMR Spectroscopy
2. 13 C shielding scale for MAS NMR spectroscopy
3. The determination of accurate nuclear magnetic dipole moments and direct measurement of NMR shielding constants
4. Solid-state NMR of quadrupolar nuclei for investigations into supported organometallic catalysts: scope and frontiers
5. Predicting Molecular Crystal Properties from First Principles: Finite-Temperature Thermochemistry to NMR Crystallography
Cited by 8 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. Modeling Environment Effects on Heavy-Element Compounds;Comprehensive Computational Chemistry;2024
2. Frozen-Density Embedding for Including Environmental Effects in the Dirac-Kohn–Sham Theory: An Implementation Based on Density Fitting and Prototyping Techniques;Journal of Chemical Theory and Computation;2022-09-29
3. Relativistic frozen density embedding calculations of solvent effects on the nuclear magnetic resonance shielding constants of transition metal nuclei;International Journal of Quantum Chemistry;2021-08-05
4. Solvent effect on the 195Pt NMR properties in pyridonate-bridged PtIII dinuclear complex derivatives investigated by ab initio molecular dynamics and localized orbital analysis;Physical Chemistry Chemical Physics;2021
5. Quantum embedding electronic structure methods;International Journal of Quantum Chemistry;2020-10-17
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