Tuning the HOMO–LUMO Energy Gap of Small Diamondoids Using Inverse Molecular Design
Author:
Affiliation:
1. Research Group of General Chemistry, Vrije Universiteit Brussel (VUB), Pleinlaan 2, 1050 Brussels, Belgium
Funder
Vrije Universiteit Brussel
Fonds Wetenschappelijk Onderzoek
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.6b01074
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