Natural hydrogen-producing enzymes are large and extremely sensitive to oxygen. This makes it difficult to use them for the applied production of green hydrogen. Researchers from the ...

Density functional theory is a widely used computer-based quantum mechanical method for calculating properties of atoms, ...

The local molecular environment is a critical factor which should be taken into account when measuring single-molecule electrical properties in condensed media or in the design of future molecular ...

Molecular junctions offer significant potential for enhancing thermoelectric power generation. Quantum interference effects and associated sharp features in electron transmission are expected to ...

The Hückel aromaticity, proposed in 1931, applies to planar molecule with [4n + 2] π electrons and has been exemplified by two well-known aromatic molecules, naphthalene and benzene (Fig. 1B ... in ...