Development of All-Atom Empirical Potentials for Phloroglucinol (Phg) and Hexachlorocyclotriphosphazene (HCCP) Based on their Crystal Phase Structures-Reference-Cited by-同舟云学术

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Development of All-Atom Empirical Potentials for Phloroglucinol (Phg) and Hexachlorocyclotriphosphazene (HCCP) Based on their Crystal Phase Structures

Published:2024-08-13 Issue:33 Volume:128 Page:7023-7035
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Brown David¹^ORCID,Barraco Méryll¹²³^ORCID,Benes Nieck E.²^ORCID,Neyertz Sylvie¹^ORCID

Affiliation:

1. Univ. Savoie Mont Blanc, Univ. Grenoble Alpes, CNRS, Grenoble INP, LEPMI, 38000 Grenoble, France

2. Films in Fluids, Department of Science and Technology, MESA+ Institute, University of Twente, P.O. Box 217, 7500 AE Enschede, The Netherlands

3. DPI, P.O. Box 902, 5600 AX Eindhoven, The Netherlands

Funder

Dutch Polymer Institute

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.4c03364

Reference58 articles.

1. Hydrogen Storage and Its Limitations

2. Mechanism and Evaluation of Hydrogen Permeation Barriers: A Critical Review

3. Radmanesh, F. Advances in Hybrid Thin Film Composite Membranes: The Untraveled Route of Non-Aqueous Interfacial Polymerization. Ph.D. Thesis, University of Twente: Enschede, The Netherlands, 2022.

4. Nonaqueous Interfacial Polymerization-Derived Polyphosphazene Films for Sieving or Blocking Hydrogen Gas

5. Barraco, M. Development of a Thin-Film Polymer Barrier on a Dense Substrate by using Interfacial Polymerization Combined with Molecular Modelling─Application to High-Pressure Hydrogen Storage Tanks. Ph.D. Thesis, Université Savoie Mont Blanc, 2023.

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