Short-range electron transfer in reduced flavodoxin: Ultrafast nonequilibrium dynamics coupled with protein fluctuations M Kundu, TF He, Y Lu, L Wang, D Zhong The journal of physical chemistry letters 9 (11), 2782-2790, 2018 | 37 | 2018 |
Multistate density functional theory of excited states Y Lu, J Gao The Journal of Physical Chemistry Letters 13 (33), 7762-7769, 2022 | 32 | 2022 |
Effects of nonequilibrium fluctuations on ultrafast short-range electron transfer dynamics Y Lu, M Kundu, D Zhong Nature Communications 11 (1), 2822, 2020 | 23 | 2020 |
Understanding short-range electron-transfer dynamics in proteins Y Lu, D Zhong The journal of physical chemistry letters 10 (3), 346-351, 2019 | 16 | 2019 |
Fundamental variable and density representation in multistate DFT for excited states Y Lu, J Gao Journal of Chemical Theory and Computation 18 (12), 7403-7411, 2022 | 11 | 2022 |
Minimal active space: NOSCF and NOSI in multistate density functional theory Y Lu, R Zhao, J Zhang, M Liu, J Gao Journal of Chemical Theory and Computation 18 (11), 6407-6420, 2022 | 9 | 2022 |
Multistate energy decomposition analysis of molecular excited states CP Hettich, X Zhang, D Kemper, R Zhao, S Zhou, Y Lu, J Gao, J Zhang, ... Jacs Au 3 (7), 1800-1819, 2023 | 8 | 2023 |
Ultrafast dynamics of nonequilibrium short-range electron transfer in semiquinone flavodoxin J Yang, Y Zhang, Y Lu, L Wang, F Lu, D Zhong The Journal of Physical Chemistry Letters 13 (14), 3202-3208, 2022 | 8 | 2022 |
Target state optimized density functional theory for electronic excited and diabatic states J Zhang, Z Tang, X Zhang, H Zhu, R Zhao, Y Lu, J Gao Journal of Chemical Theory and Computation 19 (6), 1777-1789, 2023 | 7 | 2023 |
Ultrafast nonequilibrium dynamics of short-range protein electron transfer in flavodoxin J Yang, Y Zhang, TF He, Y Lu, L Wang, B Ding, D Zhong Physical Chemistry Chemical Physics 24 (1), 382-391, 2022 | 6 | 2022 |
Nonequilibrium dynamics of photoinduced forward and backward electron transfer reactions Y Lu, D Zhong The Journal of Chemical Physics 152 (6), 2020 | 5 | 2020 |
Multi-State Density Functional Theory for Ground and Excited States Y Lu, J Gao | 4 | 2021 |
Exact eigenenergies of a model of vibronically coupled electron transfer reactions Y Lu, D Zhong Chemical physics 548, 111224, 2021 | 1 | 2021 |
Understanding the Dynamics of Short-Range Electron Transfer Reactions in Biological Systems Y Lu The Ohio State University, 2018 | | 2018 |