Articles with "hlpm" as a keyword



Some Observations on Triplet Ground-States in the Context of ‘Topological’ (HLPM) Ring-Currents in Conjugated Systems

Sign Up to like & get
recommendations!
Published in 2019 at "Croatica chemica acta"

DOI: 10.5562/cca3538

Abstract: When the quasi graph-theoretical Hückel–London–Pople–McWeeny (HLPM) approach is used to calculate ‘topological’ π-electron ring-currents and bond-currents in conjugated hydrocarbons, a problem is identified that occurs whenever application of the Aufbau process gives rise to a… read more here.

Keywords: ground; hlpm; ring currents; triplet ground ... See more keywords