| How accurate are TD‐DFT excited‐state geometries compared to DFT ground‐state geometries? J Wang, B Durbeej Journal of Computational Chemistry 41 (18), 1718-1729, 2020 | 69 | 2020 |
| Oxygen-enriched carbon material for catalyzing oxygen reduction towards hybrid electrolyte Li-air battery S Wang, S Dong, J Wang, L Zhang, P Han, C Zhang, X Wang, K Zhang, ... Journal of Materials Chemistry 22 (39), 21051-21056, 2012 | 65 | 2012 |
| Excited-state aromaticity improves molecular motors: a computational analysis B Oruganti, J Wang, B Durbeej Organic letters 19 (18), 4818-4821, 2017 | 43 | 2017 |
| Light-driven rotary molecular motors without point chirality: a minimal design J Wang, B Oruganti, B Durbeej Physical Chemistry Chemical Physics 19 (10), 6952-6956, 2017 | 35 | 2017 |
| Molecular photoswitching aided by excited‐state aromaticity B Durbeej, J Wang, B Oruganti ChemPlusChem 83 (11), 958-967, 2018 | 34 | 2018 |
| Proton-regulated electron transfers from tyrosine to tryptophan in proteins: through-bond mechanism versus long-range hopping mechanism X Chen, L Zhang, L Zhang, J Wang, H Liu, Y Bu The Journal of Physical Chemistry B 113 (52), 16681-16688, 2009 | 34 | 2009 |
| Computation of relative binding free energy for an inhibitor and its analogs binding with Erk kinase using thermodynamic integration MD simulation KW Wu, PC Chen, J Wang, YC Sun Journal of computer-aided molecular design 26, 1159-1169, 2012 | 30 | 2012 |
| Thiophene‐Coated Functionalized M12L24 Spheres: Synthesis, Characterization, and Electrochemical Properties F Jiang, N Wang, Z Du, J Wang, Z Lan, R Yang Chemistry–An Asian Journal 7 (10), 2230-2234, 2012 | 28 | 2012 |
| Quantum chemical design of rotary molecular motors B Oruganti, J Wang, B Durbeej International Journal of Quantum Chemistry 118 (1), e25405, 2018 | 24 | 2018 |
| Tracking of the molecular motion in the primary event of photoinduced reactions of a phytochromobilin model X Zhuang, J Wang, Z Lan The Journal of Physical Chemistry B 117 (50), 15976-15986, 2013 | 22 | 2013 |
| Photoinduced excited-state energy-transfer dynamics of a nitrogen-cored symmetric dendrimer: From the perspective of the Jahn–Teller effect J Huang, L Du, J Wang, Z Lan The Journal of Physical Chemistry C 119 (14), 7578-7589, 2015 | 21 | 2015 |
| Design and synthesis of indole-substituted fullerene derivatives with different side groups for organic photovoltaic devices N Wang, X Bao, C Yang, J Wang, HY Woo, Z Lan, W Chen, R Yang Organic Electronics 14 (2), 682-692, 2013 | 20 | 2013 |
| Computational Insight to Improve the Thermal Isomerisation Performance of Overcrowded Alkene‐Based Molecular Motors through Structural Redesign B Oruganti, J Wang, B Durbeej ChemPhysChem 17 (21), 3399-3408, 2016 | 19 | 2016 |
| Toward Fast and Efficient Visible‐Light‐Driven Molecular Motors: A Minimal Design J Wang, B Durbeej ChemistryOpen 7 (8), 583-589, 2018 | 18 | 2018 |
| Efficiency phosphorescent OLEDs with a low roll-off based on a hetero-triplet iridium complex L Han, D Zhang, J Wang, Z Lan, R Yang Dyes and Pigments 113, 649-654, 2015 | 17 | 2015 |
| A straightforward route to aromatic excited states in molecular motors that improves photochemical efficiency J Wang, B Oruganti, B Durbeej ChemPhotoChem 3 (6), 450-460, 2019 | 14 | 2019 |
| Photoinduced nonadiabatic decay and dissociation dynamics of dimethylnitramine X Zhuang, J Wang, Z Lan The Journal of Physical Chemistry A 117 (23), 4785-4793, 2013 | 13 | 2013 |
| Molecular motors with high quantum efficiency and visible-light responsiveness: Meeting two challenges in one design J Wang, B Durbeej Computational and Theoretical Chemistry 1148, 27-32, 2019 | 12 | 2019 |
| Intramolecular Proton and Charge Transfer of Pyrene‐based trans‐Stilbene Salicylic Acids Applied to Detection of Aggregated Proteins J Zhang, J Wang, A Sandberg, X Wu, S Nyström, H LeVine III, ... ChemPhysChem 19 (22), 3001-3009, 2018 | 12 | 2018 |
| Photoinduced Ultrafast Intramolecular Excited-State Energy Transfer in the Silylene-Bridged Biphenyl and Stilbene (SBS) System: A Nonadiabatic Dynamics Point of View J Wang, J Huang, L Du, Z Lan The Journal of Physical Chemistry A 119 (27), 6937-6948, 2015 | 12 | 2015 |
Bo DurbeejProfessor of Computational Physics, Linköping UniversityVerified email at liu.se
