Modeling Oxidative Dehydrogenation of Propane with Supported Vanadia Catalysts Using Multireference Methods

Unexpected structural isomers of AlFe₂O₄ ⁺ and AlCo₂O₄ ⁺: vibrational spectroscopy and ion mobility combined with quantum chemistry.

Modeling Oxidative Dehydrogenation of Propane with Supported Vanadia Catalysts Using Multireference Methods

Cooperative CO2 capture via oxalate formation on metal-decorated graphene

Bringing Molecules Together: Synergistic Coadsorption at Dopant Sites of Single Atom Alloys

Chemically accurate predictions for water adsorption on Brønsted sites of zeolite H-MFI

Cooperative CO$_2$ capture via oxalate formation on metal-decorated graphene

Azobenzene isomerization on a reactive copper surface by efficient decoupling with bulky side groups

Spectroscopic Signatures of Internal Hydrogen Bonds of Brønsted‐Acid Sites in the Zeolite H‐MFI

Spectroscopic Signatures of Internal Hydrogen Bonds of Brønsted‐Acid Sites in the Zeolite H‐MFI