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

Asymmetric Alkoxy- and Hydroxy-Carbonylations of Functionalized Alkenes Assisted by b-Carbonyl Groups

Prediction of freestanding semiconducting bilayer borophenes

Stable CO/H2 ratio on MoP surfaces under working condition: A DFT based thermodynamics study

Computational investigation of the ligand effect on the chemo/regioselectivity and reactivity of cobalt-catalysed hydroformylation†

Enhanced emission under proton stimuli based on a phenanthroimidazole derivative by switching the excited state type from the CT to the LE state†

La@[La5&B30]0/-/2-: endohedral trihedral metalloborospherenes with spherical aromaticity