Predicting crystal structures and properties of matter under extreme conditions via quantum mechanics: the pressure is on-Reference-Cited by-同舟云学术

Predicting crystal structures and properties of matter under extreme conditions via quantum mechanics: the pressure is on

Published:2015 Issue:5 Volume:17 Page:2917-2934
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Zurek Eva¹²³⁴,Grochala Wojciech⁵⁶⁷⁸

Affiliation:

1. Department of Chemistry

2. State University of New York at Buffalo

3. Buffalo

4. USA

5. Center for New Technologies

6. University of Warsaw

7. 02089 Warsaw

8. Poland

Abstract

The role of quantum mechanical calculations in understanding and predicting the behavior of matter at extreme pressures is discussed in this feature contribution.

Funder

Narodowe Centrum Nauki

Division of Materials Research

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2015/CP/C4CP04445B

Reference208 articles.

1. The Chemical Imagination at Work inVery Tight Places

2. Pressure-induced amorphization and polyamorphism: Inorganic and biochemical systems

3. Structure of organic solids at low temperature and high pressure

4. The Reactivity of Energetic Materials Under High Pressure and Temperature

5. Single-crystal X-ray diffraction at extreme conditions: a review

Cited by 104 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. XtalOpt version 13: Multi-objective evolutionary search for novel functional materials;Computer Physics Communications;2024-11

2. Bond Lengths and Dipole Moments of Diatomic Molecules under Isotropic Pressure with the XP-PCM and GOSTSHYP Models;Journal of Chemical Theory and Computation;2024-08-27

3. Predicted High-Pressure Hot Superconductivity in Li₂CaH₁₆ and Li₂CaH₁₇ Phases that Resemble the Type-II Clathrate Structure;Chemistry of Materials;2024-08-26

4. Optimization of Chemical Engineering Processes in the Mining and Metal Industry;Journal of Mines, Metals and Fuels;2024-07-22

5. Structural Phase Transitions in Perovskite BaCeO₃ with Data Mining and First-Principles Theoretical Calculations;The Journal of Physical Chemistry C;2024-03-06