Predicting the Structural Transition in Medium-Sized Boron Nanoclusters: From Bilayer B64, B66, B68, B70, and B72 to CoreShell B74

Access to α‑Cyano Carbonyls Bearing a Quaternary Carbon Center by Reductive Cyanation

An oxygen-passivated vanadium cluster [V@V10O15]- with metal–metal coordination produced by reacting Vn- with O2

In situ formation of ZnOx species for efficient propane dehydrogenation

From inverse sandwich Ta2B7 + and Ta2B8 to spherical trihedral Ta3B12
: prediction of the smallest metallo-borospherene†

Anodes for Carbon‐Fueled Solid Oxide Fuel Cells

Competition between quasi-planar and cage-like structures in the B29- cluster: photoelectron spectroscopy and ab initio calculations

The unified quantum mechanical structure of tubular molecular rotors with multiple equivalent global minimum structures: the 18*C2h - D9d case of La-[B2@B18]-La†

Half-Sandwich LaBn 2/0 (n = 14–17): p Dually Aromatic Lanthanide Boride Complexes with Multicenter Fluxional Bonds

First-Principles Study on the Oxidation of Supported β12-Borophene

Mechanisms of CoII and Acid Jointly Catalyzed Domino Conversion of CO2, H2, and CH3OH to Dialkoxymethane: A DFT Study

Metal-centered monocyclic carbon wheel clusters with record coordination numbers in planar species†

B48−: a bilayer boron cluster†

Catalytic Activity of Aliphatic PNP Ligated CoIII/I Amine and Amido Complexes in Hydrogenation ReactionStructure, Stability, and Substrate Dependence

Low-temperature Liquid Exfoliation of Milligramscale Single Crystalline Few-layer β12-Borophene Sheets as Efficient Electrocatalysts for Lithium– Sulfur Batteries

Graphitic-N highly doped graphene-like carbon: A superior metal-free catalyst for efficient reduction of CO2

Ultra-high loading single CoN3 sites in N-doped graphene-like carbon for efficient transfer hydrogenation of nitroaromatics

Computational investigation on the mechanism of cobalt-catalysed alkoxycarbonylation of alkyl halides

Adsorption of CO, H2, H2O, and CO2 on Fe‑, Co‑, Ni‑, Cu-, Pd-, and PtDoped Mo2C(101) Surfaces

Genuine Active Species Generated from Fe3N Nanotube by Synergistic CoNi Doping for Boosted Oxygen Evolution Catalysis