Progress in Visualizing Atomic Size Effects with DFT-Chemical Pressure Analysis: From Isolated Atoms to Trends in AB5 Intermetallics-Reference-Cited by-同舟云学术

Progress in Visualizing Atomic Size Effects with DFT-Chemical Pressure Analysis: From Isolated Atoms to Trends in AB5 Intermetallics

Published:2014-06-20 Issue:8 Volume:10 Page:3380-3392
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Berns Veronica M.¹,Engelkemier Joshua¹,Guo Yiming¹,Kilduff Brandon J.¹,Fredrickson Daniel C.¹

Affiliation:

1. Department of Chemistry, University of Wisconsin—Madison, 1101 University Avenue, Madison, Wisconsin 53706, United States

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct500246b

Reference79 articles.

1. van der Waals Volumes and Radii

2. Intermetallic Compounds and the Use of Atomic Radii in Their Description

3. van der Waals, J. D.InNobel lectures, including presentation speeches and laureates’ biographies;Elsevier Publishing Company:New York, 1967; pp254–265.

4. Müller, U.Inorganic structural chemistry;2nd ed.Wiley:Chichester, England, 2007; pp45–50.

5. Ordered Structures in Rhenium Binary Alloys from First-Principles Calculations

Cited by 50 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. Interface Nucleus Complementarity: An Iterative Process for the Discovery of Modular Intermetallics Guided by Chemical Pressure;Journal of the American Chemical Society;2024-09-09

2. Navigating the 18-n+m Isomers of PdSn₂: Chemical Pressure Relief through Isolobal Bonds and Main Group Clustering;Inorganic Chemistry;2024-06-12

3. Interface Nuclei in the Y–Ag–Zn System: Three Chemical Pressure-Templated Phases with Lamellar Mg₂Zn₁₁- and CaPd_5+x-Type Domains;Inorganic Chemistry;2024-05-06

4. Superconductivity in CH4 and BH4− containing compounds derived from the high-pressure superhydrides;Materials Today Physics;2024-05

5. Toward Predicting the Assembly of Modular Intermetallics from Chemical Pressure Analysis: The Interface Nucleus Approach;Inorganic Chemistry;2024-04-02