Assessment of DFT approaches in noble gas clathrate-like clusters: stability and thermodynamics
Author:
Affiliation:
1. Institute of Fundamental Physics (IFF-CSIC), CSIC, Serrano 123, 28006 Madrid, Spain
2. Doctoral Programme in Theoretical Chemistry and Computational Modelling, Doctoral School, Universidad Autónoma de Madrid, Spain
Abstract
Funder
Ministerio de Economía, Industria y Competitividad, Gobierno de España
European Cooperation in Science and Technology
Ministerio de Ciencia e Innovación
Consejería de Educación e Investigación
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2022/CP/D1CP04935F
Reference91 articles.
1. Large Ocean Worlds with High-Pressure Ices
2. Gas hydrates in sustainable chemistry
3. The Role of Clathrate Formation in Europa’s Ocean Composition
4. Natural gas hydrates: Recent advances and challenges in energy and environmental applications
Cited by 9 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. Analysing the stability of He-filled hydrates: how many He atoms fit in the sII crystal?;Physical Chemistry Chemical Physics;2024
2. Confining He Atoms in Diverse Ice-Phases: Examining the Stability of He Hydrate Crystals through DFT Approaches;Molecules;2023-12-01
3. Density functional theory (DFT) computation of pristine and metal-doped MC59 (M = Au, Hf, Hg, Ir) fullerenes as nitrosourea drug delivery systems;Materials Science in Semiconductor Processing;2023-05
4. Confining CO2 inside sI clathrate‐hydrates: The impact of the CO2–water interaction on quantized dynamics;Journal of Computational Chemistry;2023-04-04
5. Computational investigations of stable multiple-cage-occupancy He clathrate-like hydrostructures;Physical Chemistry Chemical Physics;2023
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