Revisiting the calculation of13C chemical shift tensors in cadmium acetate dihydrate with EIM and EIM/cluster methods
Author:
Publisher
Wiley
Subject
General Materials Science,General Chemistry
Reference31 articles.
1. In Encyclopedia of NMR, (eds). Wiley: London, 1996; 4327.
2. Carbonates, Thiocarbonates, and the Corresponding Monoalkyl Derivatives: III. The 13C Chemical Shift Tensors in Potassium Carbonate, Bicarbonate and Related Monomethyl Derivatives
3. Predicting Carbon-13 Nuclear Magnetic Resonance Chemical Shielding Tensors in Zwitterionic L-Threonine and L-Tyrosine via Quantum Chemistry
4. Carbon-13 chemical shift tensors of carboxylic acids: GIAO calculations in acetic acid + methylamine dimer
5. Carbonyl Carbon and Nitrogen Chemical Shift Tensors of the Amide Fragment of Acetanilide and N-Methylacetanilide
Cited by 5 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 Molecular Crystals by QM/MM: Self-Consistent Electrostatic Embedding for Geometry Optimizations and Molecular Property Calculations in the Solid;Journal of Chemical Theory and Computation;2012-01-09
2. Calculation of NMR parameters in ionic solids by an improved self-consistent embedded cluster method;Phys. Chem. Chem. Phys.;2010
3. A Theoretical Study of 51V Electric Field Gradient Tensors in Pyrovanadates and Metavanadates;Applied Magnetic Resonance;2007-12
4. Order parameters of α,ω-diphenylpolyenes in a nematic liquid crystal from an integrated computational and C13 NMR spectroscopic approach;The Journal of Chemical Physics;2006-11-07
5. Enhancing Crystal-Structure Prediction with NMR Tensor Data;Crystal Growth & Design;2006-09-06
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