Can density functional theory methods be used to simulate the ∊ phase of solid oxygen?-Reference-Cited by-同舟云学术

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Can density functional theory methods be used to simulate the ∊ phase of solid oxygen?

Published:2014-01 Issue: Volume:592 Page:170-174
ISSN:0009-2614
Container-title:Chemical Physics Letters
language:en
Short-container-title:Chemical Physics Letters

Author:

Bartolomei M.,Pérez-Ríos J.,Carmona-Novillo E.,Hernández M.I.,Campos-Martínez J.,Hernández-Lamoneda R.

Funder

Conacyt

Spanish

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Reference46 articles.

1. Observation of an O8 molecular lattice in the ɛ phase of solid oxygen

2. O8Cluster Structure of the Epsilon Phase of Solid Oxygen

3. High-pressure infrared spectroscopy of solid oxygen

4. TheεPhase of Solid Oxygen: Evidence of anO4Molecule Lattice

5. Spectroscopic study of the ε phase of solid oxygen

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. DFT study for effects of hydrostatic pressure on structure, interaction and mechanical properties of CL-20/BTF cocrystal;CrystEngComm;2023

2. An unrestricted approach for the accurate calculation of the intermolecular potential of (O2)4: Implications for the solid epsilon phase;The Journal of Chemical Physics;2021-03-14

3. Rotational Spectrum and Conformational Analysis of N-Methyl-2-Aminoethanol: Insights into the Shape of Adrenergic Neurotransmitters;Frontiers in Chemistry;2018-02-22

4. Microscopic description of insulator-metal transition in high-pressure oxygen;Scientific Reports;2017-06-01

5. Antiferromagnetic vs. non-magnetic ε phase of solid oxygen. Periodic density functional theory studies using a localized atomic basis set and the role of exact exchange;Physical Chemistry Chemical Physics;2017

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