High-throughput calculations and machine learning modeling of <sup>17</sup>O NMR in non-magnetic oxides-Reference-Cited by-同舟云学术

登录注册会员服务联系我们

High-throughput calculations and machine learning modeling of ¹⁷O NMR in non-magnetic oxides

Published:2024 Issue: Volume: Page:
ISSN:1359-6640
Container-title:Faraday Discussions
language:en
Short-container-title:Faraday Discuss.

Author:

Li Zhiyuan¹^ORCID,Zhao Bo¹,Zhang Hongbin¹,Zhang Yixuan¹

Affiliation:

1. TU Darmstadt, Otto-Berndt-Straße 3, 64287 Darmstadt, Germany

Abstract

In this study, we have successfully developed a comprehensive high-throughput workflow for evaluating and predicting 17O NMR parameters in non-magnetic oxide crystals.

Funder

Deutsche Forschungsgemeinschaft

Bundesministerium für Bildung und Forschung

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/FD/D4FD00128A

Reference61 articles.

1. Applications of local crystal structure measures in experiment and simulation

2. New defect-crystal-chemical approach to non-Vegardianity and complex defect structure of fluorite-based MO2–LnO1.5 solid solutions (M4+=Ce, Th; Ln3+=lanthanide)Part II: Detailed local-structure and ionic-conductivity analysis

3. Conductivity and Local Structure of LaNiO3Thin Films

4. Local Structure and Magnetism of Fe2O3 Maghemite Nanocrystals: The Role of Crystal Dimension

5. A Link between Reactivity and Local Structure in Acid Catalysis on Zeolites

同舟云学术

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