MyJournals Home  

RSS FeedsIJMS, Vol. 23, Pages 5503: Novel All-Nitrogen Molecular Crystals Composed of Tetragonal N4 Molecules (International Journal of Molecular Sciences)

 
 

14 may 2022 15:00:38

 
IJMS, Vol. 23, Pages 5503: Novel All-Nitrogen Molecular Crystals Composed of Tetragonal N4 Molecules (International Journal of Molecular Sciences)
 


A computational study promises insight into molecular crystals consisting of the tetrahedral form of N4 molecules (Td-N4). Here, our efforts are focused on theoretically predicting the existence of the molecular crystals consisting of Td-N4 molecules. On the basis of the first principles of Born–Oppenheimer molecular dynamics under constant temperature and pressure, and geometry optimizations under hydrostatic pressures without any constrained parameters, molecular crystals consisting of Td-N4 molecules were confirmed to be dynamically and thermally metastable. Our analysis shows that, with high detonation performance and high stability, these Td-N4 molecular crystals can indeed be potential candidates as high-energy density explosives.


 
60 viewsCategory: Biochemistry, Biophysics, Molecular Biology
 
IJMS, Vol. 23, Pages 5505: A Novel Method of Endotoxins Removal from Chitosan Hydrogel as a Potential Bioink Component Obtained by CO2 Saturation (International Journal of Molecular Sciences)
IJMS, Vol. 23, Pages 5506: CD26 Deficiency Controls Macrophage Polarization Markers and Signal Transducers during Colitis Development and Resolution (International Journal of Molecular Sciences)
 
 
blog comments powered by Disqus


MyJournals.org
The latest issues of all your favorite science journals on one page

Username:
Password:

Register | Retrieve

Search:

Molecular Biology


Copyright © 2008 - 2022 Indigonet Services B.V.. Contact: Tim Hulsen. Read here our privacy notice.
Other websites of Indigonet Services B.V.: Nieuws Vacatures News Tweets Nachrichten