A step-by-step investigation of sodium chloride clusters: accurate references, assessment of low-cost methods, and convergence from molecule to salt-Reference-Cited by-同舟云学术

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A step-by-step investigation of sodium chloride clusters: accurate references, assessment of low-cost methods, and convergence from molecule to salt

Published:2022-06-14 Issue: Volume: Page:
ISSN:0026-8976
Container-title:Molecular Physics
language:en
Short-container-title:Molecular Physics

Author:

Chan Bun¹

Affiliation:

1. Graduate School of Engineering, Nagasaki University, Nagasaki, Japan

Funder

Hyogo Science and Technology Association

Publisher

Informa UK Limited

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics

Link

https://www.tandfonline.com/doi/pdf/10.1080/00268976.2022.2088422

Reference68 articles.

1. How to computationally calculate thermochemical properties objectively, accurately, and as economically as possible

2. B. Ruscic and D.H. Bross, Active Thermochemical Tables (ATcT) Values Based on Ver. 1.122p of the Thermochemical Network (2020). ATcT.anl.gov

3. Chapter 3 Computational Thermochemistry: A Brief Overview of Quantum Mechanical Approaches

4. Thirty years of density functional theory in computational chemistry: an overview and extensive assessment of 200 density functionals

Cited by 4 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. Magic cluster sizes of cationic and anionic sodium chloride clusters explained by statistical modeling of the complete phase space;Physical Chemistry Chemical Physics;2024

2. DAPD Set of Pd-Containing Diatomic Molecules: Accurate Molecular Properties and the Great Lengths to Obtain Them;Journal of Chemical Theory and Computation;2023-12-14

3. Compilation of Ionic Clusters with the Rock Salt Structure: Accurate Benchmark Thermochemical Data, Assessment of Quantum Chemistry Methods, and the Convergence Behavior of Lattice Energies;The Journal of Physical Chemistry A;2023-06-27

4. Optimal Small Basis Set and Geometric Counterpoise Correction for DFT Computations;Journal of Chemical Theory and Computation;2023-06-08

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