| TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations J. Chem. Phys. 152 (18), 184107, 2020 | 759 | 2020 |
| Recent developments in the PySCF program package Q Sun, X Zhang, S Banerjee, P Bao, M Barbry, NS Blunt, NA Bogdanov, ... The Journal of chemical physics 153 (2), 2020 | 586 | 2020 |
| Synthesis and magnetism of neutral, linear metallocene complexes of terbium (II) and dysprosium (II) CA Gould, KR McClain, JM Yu, TJ Groshens, F Furche, BG Harvey, ... Journal of the American Chemical Society 141 (33), 12967-12973, 2019 | 214 | 2019 |
| A 9.2-GHz clock transition in a Lu (II) molecular spin qubit arising from a 3,467-MHz hyperfine interaction K Kundu, JRK White, SA Moehring, JM Yu, JW Ziller, F Furche, WJ Evans, ... Nature Chemistry 14 (4), 392-397, 2022 | 61 | 2022 |
| TURBOMOLE: Today and tomorrow YJ Franzke, C Holzer, JH Andersen, T Begušić, F Bruder, S Coriani, ... Journal of chemical theory and computation 19 (20), 6859-6890, 2023 | 46 | 2023 |
| Electronic structure of bulk manganese oxide and nickel oxide from coupled cluster theory Y Gao, Q Sun, MY Jason, M Motta, J McClain, AF White, AJ Minnich, ... Physical Review B 101 (16), 165138, 2020 | 45 | 2020 |
| Brominated luciferins are versatile bioluminescent probes RC Steinhardt, CM Rathbun, BT Krull, JM Yu, Y Yang, BD Nguyen, ... ChemBioChem 18 (1), 96-100, 2017 | 40 | 2017 |
| Quasi-Relativistic Calculation of EPR g-Tensors with Derivatives of the Decoupling Transformation, Gauge-Including Atomic Orbitals, and Magnetic Balance YJ Franzke, JM Yu ChemRxiv, 2021 | 24 | 2021 |
| Hyperfine Coupling Constants in Local Exact Two-Component Theory YJ Franzke, JM Yu Journal of Chemical Theory and Computation, 2021 | 23 | 2021 |
| Selfconsistent random phase approximation methods JM Yu, BD Nguyen, J Tsai, DJ Hernandez, F Furche The Journal of Chemical Physics 155 (4), 2021 | 16 | 2021 |
| Room-Temperature Stable Ln (II) Complexes Supported by 2, 6-Diadamantyl Aryloxide Ligands LM Anderson-Sanchez, JM Yu, JW Ziller, F Furche, WJ Evans Inorganic Chemistry 62 (2), 706-714, 2023 | 13 | 2023 |
| Theoretical Study of Divalent Bis (Pentaisopropylcyclopentadienyl) Actinocenes JM Yu, F Furche Inorganic chemistry 58 (23), 16004-16010, 2019 | 12 | 2019 |
| Periodic coupled-cluster Green’s function for photoemission spectra of realistic solids K Laughon, JM Yu, T Zhu The Journal of Physical Chemistry Letters 13 (39), 9122-9128, 2022 | 5 | 2022 |
| Natural determinant reference functional theory JM Yu, J Tsai, A Rajabi, D Rappoport, F Furche The Journal of Chemical Physics 160 (4), 2024 | | 2024 |
| Expanding the Electronic Structure Toolkit for f-Element Chemistry: Advances, Best Practices, and Examples MY Jason University of California, Irvine, 2022 | | 2022 |
| 9.2 GHz Clock Transition in a Lu (II) Molecular Spin Qubit Arising from a Massive 3467 MHz Hyperfine Interaction S Hill, K Kundu, J White, S Moehring, J Yu, J Ziller, F Furche, W Evans APS March Meeting Abstracts 2022, W53. 006, 2022 | | 2022 |
| A DEL data analysis platform for the identification of diverse chemical series in drug discovery JM Yu, L Akella, G Bhisetti ACS Fall 2021 Conference, 2021 | | 2021 |
| Non-adiabatic molecular dynamics simulations S Parker, M Muuronen, J Vincent, S Roy, B Krull, J Yu, B Nguyen, ... ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 251, 2016 | | 2016 |
