Ab initio phase transition prediction for ices XV/XIV/VIII at high pressures and low temperatures-Reference-Cited by-同舟云学术

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Ab initio phase transition prediction for ices XV/XIV/VIII at high pressures and low temperatures

Published:2020-12 Issue: Volume:760 Page:138015
ISSN:0009-2614
Container-title:Chemical Physics Letters
language:en
Short-container-title:Chemical Physics Letters

Author:

Xiao Rui,Huang Lei,Han Yanqiang,Liu Jinyun,Li Jinjin^ORCID

Funder

National Natural Science Foundation of China

SJTU Global Strategic Partnership Fund

Science and Technology Major Project of Anhui Province

Key Research and Development Program of Wuhu

Foundation of Anhui Laboratory of Molecule-Based Materials

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Reference38 articles.

1. Crystalline water ices;Zheligovskaya;Usp Khim+,2006

2. Prediction of a phase transition to a hydrogen bond ordered form of ice VI;Knight;J. Phys. Chem. B,2005

3. Thermodynamic and kinetic isotope effects on the order–disorder transition of ice XIV to ice XII;Fuentes-Landete;Phys. Chem. Chem. Phys.,2018

4. Dynamics enhanced by HCl doping triggers full pauling entropy release at the ice XII-XIV transition;Koster;Nat. Commun.,2015

5. Ice XV: a new thermodynamically stable phase of ice;Salzmann;Phys Rev Lett,2009

Cited by 3 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. Computational high‐pressure chemistry: Ab initio simulations of atoms, molecules, and extended materials in the gigapascal regime;WIREs Computational Molecular Science;2024-03

2. Accurate crystal structure of ice VI from X-ray diffraction with Hirshfeld atom refinement;IUCrJ;2022-07-16

3. Machine learning accelerates quantum mechanics predictions of molecular crystals;Physics Reports;2021-11

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