Search by keyword: "density functional theory"
Two-Dimensional Janus Alloys for Spintronics on the Example of Fe2I3Br3
| Authors: Medintseva T.V., Kartsev A.I., Tarasov Yu.I. | Published: 29.07.2026 |
| DOI: | |
| Category: Physics | Chapter: Condensed Matter Physics | |
| Keywords: electron theory of solids, 2D magnets, density functional theory, two-dimensional transition metal dichalcogenides, Janus alloys | |
Antioxidant Properties of Ethyl Acetate Fraction of Sungkai Leaves (Peronema Canescens Jack): Experimental and Computational Approaches
| Authors: Imelda, Deswita E., Suryati | Published: 19.10.2025 |
| Published in issue: #4(121)/2025 | |
| DOI: | |
| Category: Chemistry | Chapter: Organic Chemistry | |
| Keywords: antioxidants, Sungkai leaves, ethyl acetate, DPPH, density functional theory | |
Electronic Structure and Itinerant Magnetism of Hydrogenated Graphene Nanofilms
| Authors: Ilyasov V.V., Ershov I.V., Holodova O.M., Popova I.G. | Published: 21.06.2019 |
| Published in issue: #3(84)/2019 | |
| DOI: 10.18698/1812-3368-2019-3-60-69 | |
| Category: Physics | Chapter: Physics and Technology of Nanostructures, Nuclear and Molecular Physics | |
| Keywords: graphene nanostructures, electronic structure, density functional theory, itinerant magnetism | |