Understanding the ε and ζ High-Pressure Solid Phases of Oxygen. Systematic Periodic Density Functional Theory Studies Using Localized Atomic Basis-Reference-Cited by-同舟云学术

Understanding the ε and ζ High-Pressure Solid Phases of Oxygen. Systematic Periodic Density Functional Theory Studies Using Localized Atomic Basis

Published:2015-02-27 Issue:3 Volume:11 Page:1195-1205
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Ochoa-Calle A. J.¹,Zicovich-Wilson C. M.¹,Hernández-Lamoneda R.²,Ramírez-Solís A.¹

Affiliation:

1. Departamento de Física, Centro de Investigación en Ciencias, Universidad Autónoma del Estado de Morelos, Av. Universidad 1001, Cuernavaca, Morelos 62209, México

2. Centro de Investigaciones Quı́micas, Universidad Autónoma del Estado de Morelos, Av. Universidad 1001, Cuernavaca, Morelos 62209, México

Funder

Consejo Nacional de Ciencia y Tecnología

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.5b00017

Reference42 articles.

1. Solid oxygen

2. Structural phase transitions of solid oxygen at low temperature and high pressure

3. New High-Pressure Structural Transition of Oxygen at 96 GPa Associated with Metallization in a Molecular Solid

4. O8Cluster Structure of the Epsilon Phase of Solid Oxygen

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

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