tiheysfunktionaaliteoria
http://www.yso.fi/onto/yso/p28852
Liittyvät julkaisut
1/14
- Addressing Dynamics at Catalytic Heterogeneous Interfaces with DFT-MD : Anomalous Temperature Distributions from Commonly Used Thermostats (2022) Korpelin, Ville; et al.; A1; OA
- A New Pt(II) Complex with Anionic s-Triazine Based NNO-Donor Ligand : Synthesis, X-ray Structure, Hirshfeld Analysis and DFT Studies (2022) Altowyan, Mezna Saleh; et al.; A1; OA
- Candidate revolving chiral doublet bands in 119Cs (2022) Zheng, K. K.; et al.; A1
- Efficient Consecutive Synthesis of Ethyl-2-(4-Aminophenoxy) Acetate, a Precursor for Dual GK and PPARγ Activators, X-ray Structure, Hirshfeld Analysis, and DFT Studies (2022) Altowyan, Mezna Saleh; et al.; A1; OA
- Growth, single crystal investigations, Hirshfeld surface analysis, DFT studies, molecular dynamics simulations, molecular docking, physico-chemical characterization and biological activity of novel thiocyanic complex with zinc transition metal precursor (2022) Makhlouf, Jawher; et al.; A1
- Nuclear Charge Radii of the Nickel Isotopes 58−68,70Ni (2022) Malbrunot-Ettenauer, S.; et al.; A1; OA
- On deterministic solutions for multi-marginal optimal transport with Coulomb cost (2022) Bindini, Ugo; et al.; A1; OA
- Precision measurement of the magnetic octupole moment in 45Sc as a test for state-of-the-art atomic- and nuclear-structure theory (2022) de Groote, R.P.; et al.; A1; OA
- Selective Acrolein Hydrogenation over Ligand-Protected Gold Clusters : A Venus Flytrap Mechanism (2022) Mammen, Nisha; et al.; A1; OA
- Solvent directs the dimensionality of Cu-dicyanoimidazoles (2022) Hirva, Pipsa; et al.; A1; OA
