Keyword detail
Articles with keyword "computational chemistry"
Design of carborane molecular architectures with electronic structure computations: From endohedral and polyradical systems to multidimensional networks
Antiaromatic ions and their value in quantifying aromaticity, as probes of delocalization, and potential as stable diradicals
Multiscale modeling of solvation in chemical and biological nanosystems and in nanoporous materials
Multiple bonds between lead atoms and short bonds between transition metals
Inherent dynamical preferences in carbocation rearrangements leading to terpene natural products