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Bioinspired Polyoxo-titanium Cluster for Greatly Enhanced Solar-Driven CO2 Reduction
Develo** artificial enzymes with excellent catalytic activities and uncovering the structural
and chemical determinants remain a grand challenge. Discrete titanium-oxo clusters with …
and chemical determinants remain a grand challenge. Discrete titanium-oxo clusters with …
[HTML][HTML] Observation of do**-induced spin–orbit coupling in gold cluster assembly to carrier-tuneable semiconductors and Schottky behaviors
The do** influenced carrier dynamics to maneuvering n-type to p-type semiconducting
gold cluster assembly have been assessed. The resonance photoemission spectroscopic …
gold cluster assembly have been assessed. The resonance photoemission spectroscopic …
[PDF][PDF] Multireference Perturbation Theory Assessment of Electronic structure, and Reactivity for Iron-Doped Gold Clusters
Do** a gold cluster with a transition metal atom allows the structural diversity of gold
clusters to be combined with the distinctive features of high-spin systems. SMMs (single …
clusters to be combined with the distinctive features of high-spin systems. SMMs (single …
A Brief Review of Density Functional Theory and Solvation Model
AK Kushwaha - 2022 - chemrxiv.org
In recent years, the applications of first-principles density functional theory (DFT) is
diversified and expanded in a wide range due to the development of robust algorithms and …
diversified and expanded in a wide range due to the development of robust algorithms and …