State Interaction Linear Response Time-Dependent Density Functional Theory with Perturbative Spin–Orbit Coupling: Benchmark and Perspectives C Liao, JM Kasper, AJ Jenkins, P Yang, ER Batista, MJ Frisch, X Li JACS Au 3 (2), 358-367, 2023 | 7 | 2023 |
Manifestation of the interplay between spin–orbit and Jahn–Teller effects in Au 25 superatom UV-Vis fingerprint spectra C Liao, M Zhu, D Jiang, X Li Chemical Science 14 (18), 4666-4671, 2023 | 4 | 2023 |
Multi-scale dynamics at the glassy silica surface HA Nguyen, C Liao, A Wallum, J Lyding, M Gruebele The Journal of Chemical Physics 151 (17), 2019 | 4 | 2019 |
Phase‐Controlled Synthesis and Quasi‐Static Dielectric Resonances in Silver Iron Sulfide (AgFeS2) Nanocrystals S Lee, CE Hoyer, C Liao, X Li, VC Holmberg Small 18 (9), 2104975, 2022 | 2 | 2022 |
Exploring Locality in Molecular Dirac-Coulomb-Breit Calculations: A Perspective C Liao, E Lambros, Q Sun, KG Dyall, X Li Journal of Chemical Theory and Computation 19 (24), 9009-9017, 2023 | 1 | 2023 |
Tetravalent Cerium Alkyl and Benzyl Complexes H Tateyama, AC Boggiano, C Liao, KS Otte, X Li, HS La Pierre Journal of the American Chemical Society 146 (15), 10268-10273, 2024 | | 2024 |
Comparison of Variational and Perturbative Spin–Orbit Coupling within Two-Component CASSCF C Liao, CE Hoyer, R Banerjee Ghosh, AJ Jenkins, S Knecht, MJ Frisch, ... The Journal of Physical Chemistry A 128 (12), 2498-2506, 2024 | | 2024 |