| Describing chemical reactivity with frontier molecular orbitalets J Yu, NQ Su, W Yang JACS Au 2 (6), 1383-1394, 2022 | 93 | 2022 |
| LibSC: Library for scaling correction methods in density functional theory Y Mei, J Yu, Z Chen, NQ Su, W Yang Journal of chemical theory and computation 18 (2), 840-850, 2022 | 14 | 2022 |
| Linear scaling calculations of excitation energies with active-space particle–particle random-phase approximation J Li, J Yu, Z Chen, W Yang The Journal of Physical Chemistry A 127 (37), 7811-7822, 2023 | 13 | 2023 |
| Accurate Excitation Energies of Point Defects from Fast Particle–Particle Random Phase Approximation Calculations J Li, Y Jin, J Yu, W Yang, T Zhu The Journal of Physical Chemistry Letters 15 (10), 2757-2764, 2024 | 6 | 2024 |
| Particle–Particle Random Phase Approximation for Predicting Correlated Excited States of Point Defects J Li, Y Jin, J Yu, W Yang, T Zhu Journal of Chemical Theory and Computation 20 (18), 7979-7989, 2024 | 3 | 2024 |
| Accurate Prediction of Core Level Binding Energies from Ground-State Density Functional Calculations: The Importance of Localization and Screening J Yu, Y Mei, Z Chen, W Yang arXiv preprint arXiv:2406.06345, 2024 | 2 | 2024 |
| Accurate and Efficient Prediction of Double Excitation Energies Using the Particle-Particle Random Phase Approximation J Yu, J Li, T Zhu, W Yang arXiv preprint arXiv:2411.16599, 2024 | 1 | 2024 |
| Design and Evaluation of Pyridinyl Sulfonyl Piperazine LpxH Inhibitors with Potent Antibiotic Activity Against Enterobacterales AF Ennis, CS Cochrane, PA Dome, P Jeong, J Yu, H Lee, CS Williams, ... JACS Au 4 (11), 4383-4393, 2024 | | 2024 |
| Chemical Concepts from Molecular Orbital Theory F Long Gu, J Yu, W Yang Exploring Chemical Concepts Through Theory and Computation, 1-22, 2024 | | 2024 |
| Chemical Concepts from Molecular Orbital Theory Feng Long Gu¹, Jincheng Yu², and Weitao Yang2 1 South China Normal University, School of Environment, Ministry of Education, Key … FL Gu¹, J Yu, W Yang Exploring Chemical Concepts Through Theory and Computation, 1, 2024 | | 2024 |
Weitao YangPhilip Handler Professor, Department of Chemistry, Duke University在 duke.edu 的电子邮件经过验证
