Calculation of NMR shieldings and other properties for three and five coordinate Si, three coordinate O and some siloxane and boroxol ring compounds
Author:
Publisher
Elsevier BV
Subject
Materials Chemistry,Condensed Matter Physics,Ceramics and Composites,Electronic, Optical and Magnetic Materials
Reference38 articles.
1. Molecular Orbital Theories and the Structural Properties of Molecules
2. Ab Intro Molecular Orbital Theory;Hehre,1986
3. Gaussian‐1 theory: A general procedure for prediction of molecular energies
4. Quantum mechanical studies of Si-O and Si-F bonds in molecules and minerals
Cited by 42 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 Modeling of Silicate Glasses: A Quantitative Structure-Property Relationship Perspective;Molecular Dynamics Simulations of Disordered Materials;2015
2. Computational simulations of solid state NMR spectra: a new era in structure determination of oxide glasses;RSC Advances;2013
3. Geminal 2 J (29 Si-O-29 Si) couplings in oligosiloxanes and their relation to direct 1 J (29 Si-13 C) couplings;Magnetic Resonance in Chemistry;2011-07-14
4. Density Functional Theory Calculations of 95Mo NMR Parameters in Solid-State Compounds;ChemPhysChem;2009-12-21
5. First-Principles Nuclear Magnetic Resonance Structural Analysis of Vitreous Silica;The Journal of Physical Chemistry C;2009-04-09
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