Tuning the quasi‐harmonic treatment of crystalline ionic liquids within the density functional theory-Reference-Cited by-同舟云学术

登录注册会员服务联系我们

Tuning the quasi‐harmonic treatment of crystalline ionic liquids within the density functional theory

Published:2021-12-27 Issue:7 Volume:43 Page:448-456
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J Comput Chem

Author:

Červinka Ctirad¹^ORCID

Affiliation:

1. Department of Physical Chemistry University of Chemistry and Technology Prague Prague Czech Republic

Funder

Grantová Agentura České Republiky

Ministerstvo Školství, Mládeže a Tělovýchovy

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.26804

Reference53 articles.

1. Cohesive Properties of Ionic Liquids Calculated from First Principles

2. CCSD(T)/CBS fragment-based calculations of lattice energy of molecular crystals

3. Modeling Polymorphic Molecular Crystals with Electronic Structure Theory

4. Lattice energies of molecular solids from the random phase approximation with singles corrections

5. A benchmark for non-covalent interactions in solids

Cited by 8 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. mcGFN-FF: an accurate force field for optimization and energetic screening of molecular crystals;Zeitschrift für Naturforschung B;2024-04-01

2. First-Principles Models of Polymorphism of Pharmaceuticals: Maximizing the Accuracy-to-Cost Ratio;Journal of Chemical Theory and Computation;2024-03-26

3. Calorimetric and Crystallographic Phase-Behavior Study of Selected 1-Butylpyridinium Ionic Liquids;Crystal Growth & Design;2023-06-23

4. Dynamic Disorder, Strain, and Sublimation of Crystalline Caged Hydrocarbons from First Principles;Crystal Growth & Design;2023-05-04

5. Regulating the Electronic Configuration of Spinel Zinc Manganate Derived from Metal-Organic Frameworks: Controlled Synthesis and Application in Anode Materials for Lithium-Ion Batteries;ACS APPL MATER INTER;2022

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