Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package E Epifanovsky, ATB Gilbert, X Feng, J Lee, Y Mao, N Mardirossian, ... The Journal of chemical physics 155 (8), 2021 | 732 | 2021 |
Unveiling electronic properties in metal–phthalocyanine-based pyrazine-linked conjugated two-dimensional covalent organic frameworks M Wang, M Ballabio, M Wang, HH Lin, BP Biswal, X Han, S Paasch, ... Journal of the American Chemical Society 141 (42), 16810-16816, 2019 | 266 | 2019 |
Two‐dimensional boronate ester covalent organic framework thin films with large single crystalline domains for a neuromorphic memory device SW Park, Z Liao, B Ibarlucea, H Qi, HH Lin, D Becker, J Melidonie, ... Angewandte Chemie 132 (21), 8295-8301, 2020 | 141 | 2020 |
High-Mobility Semiconducting Two-Dimensional Conjugated Covalent Organic Frameworks with p-Type Doping M Wang, M Wang, HH Lin, M Ballabio, H Zhong, M Bonn, S Zhou, T Heine, ... Journal of the American Chemical Society 142 (52), 21622-21627, 2020 | 132 | 2020 |
First principle prediction of intramolecular singlet fission and triplet triplet annihilation rates HH Lin, KY Kue, GC Claudio, CP Hsu Journal of Chemical Theory and Computation 15 (4), 2246-2253, 2019 | 20 | 2019 |
Formation of a super-dense hydrogen monolayer on mesoporous silica R Balderas-Xicohténcatl, HH Lin, C Lurz, L Daemen, Y Cheng, ... Nature chemistry 14 (11), 1319-1324, 2022 | 14 | 2022 |
Fragment-based restricted active space configuration interaction with second-order corrections embedded in periodic Hartree–Fock wave function HH Lin, L Maschio, D Kats, D Usvyat, T Heine Journal of Chemical Theory and Computation 16 (11), 7100-7108, 2020 | 14 | 2020 |