Graphene. Read the latest research news on graphene, including special properties of the substance, potential uses as the 'new silicon' and more.

The analytic gradient is derived for the frozen domain formulation of the fragment molecular orbital (FMO) method combined with the polarizable continuum model. The accuracy is tested in comparison to ...

This study investigates the effectiveness of Virtual Reality (VR) as a teaching tool for molecular geometry in engineering education, comparing it with traditional methods and physical 3D models.

Chalcogen bonding interactions (ChBIs) have been widely employed to create ordered noncovalent assemblies in solids and liquids. Yet, their ability to engineer molecular self-assembly on surfaces has ...