Evaluating frontier orbital energy and HOMO/LUMO gap with descriptors from density functional reactivity theory
Crossref DOI link: https://doi.org/10.1007/s00894-016-3175-x
Published Online: 2016-12-08
Published Print: 2017-01
Update policy: https://doi.org/10.1007/springer_crossmark_policy
Huang, Ying
Rong, Chunying
Zhang, Ruiqin
Liu, Shubin
License valid from 2016-12-08