| How method-dependent are calculated differences between vertical, adiabatic, and 0–0 excitation energies? C Fang, B Oruganti, B Durbeej The Journal of Physical Chemistry A 118 (23), 4157-4171, 2014 | 87 | 2014 |
| Excited-state aromaticity improves molecular motors: a computational analysis B Oruganti, J Wang, B Durbeej Organic letters 19 (18), 4818-4821, 2017 | 43 | 2017 |
| Photoinduced changes in aromaticity facilitate electrocyclization of dithienylbenzene switches B Oruganti, P Pál Kalapos, V Bhargav, G London, B Durbeej Journal of the American Chemical Society 142 (32), 13941-13953, 2020 | 40 | 2020 |
| Molecular photoswitching aided by excited‐state aromaticity B Durbeej, J Wang, B Oruganti ChemPlusChem 83 (11), 958-967, 2018 | 35 | 2018 |
| 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 | 34 | 2017 |
| Computational design of faster rotating second-generation light-driven molecular motors by control of steric effects B Oruganti, C Fang, B Durbeej Physical Chemistry Chemical Physics 17 (33), 21740-21751, 2015 | 33 | 2015 |
| Computational study of the working mechanism and rate acceleration of overcrowded alkene-based light-driven rotary molecular motors C Fang, B Oruganti, B Durbeej RSC Advances 4 (20), 10240-10251, 2014 | 31 | 2014 |
| Quantum chemical design of rotary molecular motors B Oruganti, J Wang, B Durbeej International Journal of Quantum Chemistry 118 (1), e25405, 2018 | 24 | 2018 |
| Assessment of a composite CC2/DFT procedure for calculating 0–0 excitation energies of organic molecules B Oruganti, C Fang, B Durbeej Molecular Physics 114 (23), 3448-3463, 2016 | 22 | 2016 |
| 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 | 18 | 2016 |
| Molecular interactions in liquid mixtures containing o-cresol and 1-alkanols: Thermodynamics, FT-IR and computational studies S Karlapudi, Z Liu, Q Bi, V Govinda, I Bahadur, O Baswanth, C Prasad Journal of Molecular Liquids 305, 112798, 2020 | 16 | 2020 |
| Allosteric enhancement of the BCR-Abl1 kinase inhibition activity of nilotinib by cobinding of asciminib B Oruganti, E Lindahl, J Yang, W Amiri, R Rahimullah, R Friedman Journal of Biological Chemistry 298 (8), 2022 | 14 | 2022 |
| Activation of Abl1 kinase explored using well-tempered metadynamics simulations on an essential dynamics sampled path B Oruganti, R Friedman Journal of Chemical Theory and Computation 17 (11), 7260-7270, 2021 | 14 | 2021 |
| 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 |
| Photoswitching of Local (Anti) Aromaticity in Biphenylene-Based Diarylethene Molecular Switches PP Kalapos, PJ Mayer, T Gazdag, A Demeter, B Oruganti, B Durbeej, ... The Journal of Organic Chemistry 87 (15), 9532-9542, 2022 | 13 | 2022 |
| On the possibility to accelerate the thermal isomerizations of overcrowded alkene-based rotary molecular motors with electron-donating or electron-withdrawing substituents B Oruganti, B Durbeej Journal of Molecular Modeling 22, 1-11, 2016 | 11 | 2016 |
| Directed growth of 1D cadmium sulfide by chemically anchored Al2O3 and ZnO nanoparticles Z Khan, D Barpuzary, O Baswant, S Sutradhar, M Qureshi Materials Letters 65 (8), 1168-1171, 2011 | 9 | 2011 |
| Computational comparison of chemical and isotopic approaches to control the photoisomerization dynamics of light-driven molecular motors J Wang, B Oruganti, B Durbeej The Journal of Organic Chemistry 86 (8), 5552-5559, 2021 | 8 | 2021 |
| Unidirectional rotary motion in isotopically chiral molecular motors: a computational analysis J Wang, B Oruganti, B Durbeej Organic Letters 22 (18), 7113-7117, 2020 | 8 | 2020 |
| Modulating the photocyclization reactivity of diarylethenes through changes in the excited-state aromaticity of the π-linker B Oruganti, J Wang, B Durbeej The Journal of Organic Chemistry 87 (17), 11565-11571, 2022 | 7 | 2022 |
Bo DurbeejProfessor of Computational Physics, Linköping University在 liu.se 的电子邮件经过验证
