Half-Metallic Ferromagnetism in Radical-Bridged Metal–Organic Frameworks | Chemistry of Materials |
- Science: Chemistry: Physical and theoretical chemistry
- Science: Chemistry
- Technology: Electrical engineering. Electronics. Nuclear engineering: Materials of engineering and construction. Mechanics of materials
- Technology: Chemical technology
- Technology: Electrical engineering. Electronics. Nuclear engineering: Materials of engineering and construction. Mechanics of materials
- Technology: Electrical engineering. Electronics. Nuclear engineering: Materials of engineering and construction. Mechanics of materials
| | 2024 |
Probing the thermal resistance of solid–liquid interfaces in nanofluids with molecular dynamics | The Journal of Chemical Physics |
- Science: Chemistry: Physical and theoretical chemistry
- Science: Physics: Atomic physics. Constitution and properties of matter
- Science: Chemistry: Physical and theoretical chemistry
- Science: Chemistry
| | 2024 |
Benchmarking the accuracy of the separable resolution of the identity approach for correlated methods in the numeric atom-centered orbitals framework | The Journal of Chemical Physics |
- Science: Chemistry: Physical and theoretical chemistry
- Science: Physics: Atomic physics. Constitution and properties of matter
- Science: Chemistry: Physical and theoretical chemistry
- Science: Chemistry
| | 2024 |
Understanding the adsorption performance of T-G, T-BN, T-AlN, and T-GaN nanosheets toward the thioguanine anticancer drug via DFT calculations | AIP Advances |
- Science: Physics
- Technology: Chemical technology
- Science: Chemistry
- Science: Physics
- Technology: Chemical technology
- Technology: Electrical engineering. Electronics. Nuclear engineering: Materials of engineering and construction. Mechanics of materials
- Technology: Electrical engineering. Electronics. Nuclear engineering: Materials of engineering and construction. Mechanics of materials
| 1 | 2024 |
Hydration numbers of biologically relevant divalent metal cations from ab initio molecular dynamics and continuum solvation methods | The Journal of Chemical Physics |
- Science: Chemistry: Physical and theoretical chemistry
- Science: Physics: Atomic physics. Constitution and properties of matter
- Science: Chemistry: Physical and theoretical chemistry
- Science: Chemistry
| | 2024 |