Benchmarking the performance of approximate van der Waals methods for the structural and energetic properties of SiO2 and AlPO4 frameworks-Reference-Cited by-同舟云学术

登录注册会员服务联系我们

Benchmarking the performance of approximate van der Waals methods for the structural and energetic properties of SiO2 and AlPO4 frameworks

Published:2019-03-07 Issue:9 Volume:150 Page:094102
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Fischer Michael¹²^ORCID,Kim Won June³^ORCID,Badawi Michael³^ORCID,Lebègue Sébastien³

Affiliation:

1. Crystallography Group, Department of Geosciences, University of Bremen, Klagenfurter Straße 2-4, D-28359 Bremen, Germany

2. MAPEX Center for Materials and Processes, University of Bremen, D-28359 Bremen, Germany

3. Université de Lorraine and CNRS, LPCT, UMR 7019, 54506 Vandœuvre-lès-Nancy, France

Funder

GENCI-CCRT/CINES

Deutsche Forschungsgemeinschaft

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.5085394

Reference89 articles.

1. van der Waals dispersion interactions in molecular materials: beyond pairwise additivity

2. Dispersion-Corrected Mean-Field Electronic Structure Methods

3. First-Principles Models for van der Waals Interactions in Molecules and Materials: Concepts, Theory, and Applications

4. Accuracy of Quantum Chemical Methods for Large Noncovalent Complexes

5. Benchmark Calculations of Interaction Energies in Noncovalent Complexes and Their Applications

Cited by 27 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. The gallophosphate cloverite – A promising adsorbent for environmental remediation … ?*;Molecular Simulation;2024-08-30

2. Studying the adsorption of emerging organic contaminants in zeolites with dispersion‐corrected density functional theory calculations: From numbers to recommendations;ChemistryOpen;2024-02-22

3. Location of Brønsted sites in deuterated L-zeolite: A combined neutron powder diffraction and computer modeling study;Materials Chemistry and Physics;2023-10

4. Migration Mechanisms of Al3+/Li+ Lattice Impurities during Phase Transition from α-Quartz to β-Quartz: An Implication for Purification of High-Purity Quartz;Minerals;2023-09-29

5. Accessibility of Lithium Cations in VSH‐2 Zeotype: Structural Effects and Formation of Protonated Water Clusters;European Journal of Inorganic Chemistry;2023-09-18

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

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