tiheysfunktionaaliteoria
http://www.yso.fi/onto/yso/p28852
Liittyvät julkaisut ja muut tuotokset
1/18
- Atomic-scale visualization of multiferroicity in monolayer NiI2 (2024) Amini, Mohammad; et al.; A1; OA
- Comprehensive Experimental and DFT‐Based Theoretical Analysis of a Novel Cobalt(II) Complex : Structural Characterization and Optical Properties (2024) Ferchichi, Amal; et al.; A1
- Crystal structure, computational study and nonlinear optical properties of the novel copper(I) π,σ-complexes based on 3,4-diphenyl-5-allylsulfanyl-4H-1,2,4-triazole (2024) Fedko, A.M.; et al.; A1; OA
- Experimental and computational studies of reactive main group species : low-coordinate complexes, multiple bonding, and hydrometallation (2024) Lehmann, Annika; G5; OA; 978-952-86-0311-5
- Force-Free Identification of Minimum-Energy Pathways and Transition States for Stochastic Electronic Structure Theories (2024) Iyer, Gopal R.; et al.; A1; OA
- GPAW : An open Python package for electronic structure calculations (2024) Mortensen, Jens Jørgen; et al.; A1; OA
- Measurements of binding energies and electromagnetic moments of silver isotopes : A complementary benchmark of density functional theory (2024) de Groote, R. P.; et al.; A1; OA
- Metal–water interface formation : Thermodynamics from ab initio molecular dynamics simulations (2024) Domínguez-Flores, Fabiola; et al.; A1; OA
- Modelling the growth reaction pathways of zincone ALD/MLD hybrid thin films : a DFT study (2024) Mäkinen, Mario; et al.; A1; OA
- Preparation of novel [Co(SCN)4] hybrid material : crystal structure investigation, DFT mechanistic analysis, antioxidant activity, and molecular docking study for potential inflammatory disorder control (2024) Makhlouf, Jawher; et al.; A1; OA
