Using a Drude-based polarizable model, we investigate the liquid–vapor interface of hydrogen fluoride (HF) via molecular dynamics simulations. The interface displays a complex morphology with ...

This book addresses the problem of teaching the Electronic Structure and Chemical Bonding of atoms and molecules to high school and university students. It presents the outcomes of thorough ...

A structure-based molecular modeling approach was performed to identify novel structural characteristics and scaffolds that might represent new classes of HIV-1 non-nucleoside reverse transcriptase ...