Can we predict the structure and stability of molecular crystals under increased pressure? First-principles study of glycine phase transitions-Reference-Cited by-同舟云学术

Can we predict the structure and stability of molecular crystals under increased pressure? First-principles study of glycine phase transitions

Published:2018-03-12 Issue:19 Volume:39 Page:1300-1306
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Szeleszczuk Łukasz¹^ORCID,Pisklak Dariusz Maciej¹,Zielińska-Pisklak Monika²^ORCID

Affiliation:

1. Department of Physical Chemistry, Chair and Department of Physical Pharmacy and Bioanalysis, Faculty of Pharmacy with the Laboratory Medicine Division; Medical University of Warsaw; Banacha 1 02-093 Warsaw Poland

2. Department of Biomaterials Chemistry, Chair and Department of Inorganic and Analytical Chemistry, Faculty of Pharmacy with the Laboratory Medicine Division, Medical University of Warsaw; Banacha 1 02-093 Warsaw Poland

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Reference32 articles.

1. First-principles modeling of molecular crystals: structures and stabilities, temperature and pressure

2. High-Pressure Polymorphs of Molecular Solids: When Are They Formed, and When Are They Not? Some Examples of the Role of Kinetic Control

3. Pharmaceutical properties of two ethenzamide-gentisic acid cocrystal polymorphs: Drug release profiles, spectroscopic studies and theoretical calculations

4. Combined X-ray diffraction and Raman spectroscopy studies of phase transitions in crystalline amino acids at low temperatures and high pressures: selected examples

5. Nuclear dynamics and phase polymorphism in solid formic acid

Cited by 20 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. Review of Applications of Density Functional Theory (DFT) Quantum Mechanical Calculations to Study the High-Pressure Polymorphs of Organic Crystalline Materials;International Journal of Molecular Sciences;2023-09-15

2. Evolution of the Electronic Structure and Elastic Properties of β-glycine under the Influence of External Hydrostatic Pressure: Quantum Chemical Modeling;SIBERIAN JOURNAL OF PHYSICS;2023-08-29

3. Unique features of the structural phase transition in acetylene showing simultaneous characteristics of reconstructive, displacive and order–disorder;Physical Chemistry Chemical Physics;2023

4. Homogenous Cr and C Doped 3D Self-Supporting NiO Cellular Nanospheres for Hydrogen Evolution Reaction;Materials;2022-10-13

5. The comparative study of structural, electronic, and optical properties of hydrogen peroxide and its dihydrate under pressures: first-principle calculations;Journal of Molecular Modeling;2022-02-28