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| Issue | Title | |
| Vol 3, No 6 (2012) | Adiabatic and vertical ionization potentials of single-walled carbon nanotubes | Abstract similar documents |
| I. K. Petrushenko, N. A. Ivanov | ||
| "... (SWNT) were calculated by the DFT method. The changes of ionization potentials of structures ..." | ||
| Vol 16, No 4 (2025) | Half-metallic dichalcogenide doped with a transition metal for selective gas adsorption | Abstract PDF (Eng) similar documents |
| A. I. Ayesh | ||
| "... to their impact on the greenhouse effect as well as climate change. Density functional theory (DFT) and first ..." | ||
| Vol 16, No 3 (2025) | Boron doped small fullerenes C20, C24, C28 as a basis for the formation of heterostructures | Abstract PDF (Eng) similar documents |
| A. R. El Zanin, S. V. Boroznin, I. V. Zaporotskova | ||
| "... C20, C24, C28 were investigated using density functional theory (DFT) methods. Average bonds lengths ..." | ||
| Vol 16, No 5 (2025) | Bridging accuracy and efficiency: assessing universal ML potentials for niobiumoxygen clusters | Abstract PDF (Eng) similar documents |
| I. S. Popov, A. A. Valeeva, A. N. Enyashin | ||
| "... Machine Learning Interatomic Potentials (MLIPs) promise to combine the accuracy of DFT ..." | ||
| 1 - 4 of 4 Items | ||
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