A combined atomic force microscopy and computational approach for the structural elucidation of breitfussin A and B: Highly modified halogenated dipeptides from Thuiaria breitfussi KØ Hanssen, B Schuler, AJ Williams, TB Demissie, E Hansen, ... Angewandte Chemie 124 (49), 12404-12407, 2012 | 130 | 2012 |
Towards highly efficient electrochemical CO2 reduction: Cell designs, membranes and electrocatalysts RA Tufa, D Chanda, M Ma, D Aili, TB Demissie, J Vaes, Q Li, S Liu, D Pant Applied Energy 277, 115557, 2020 | 127 | 2020 |
Pharmacokinetics and drug-likeness of antidiabetic flavonoids: Molecular docking and DFT study M Bitew, T Desalegn, TB Demissie, A Belayneh, M Endale, ... Plos one 16 (12), e0260853, 2021 | 82 | 2021 |
DFT as a powerful predictive tool in photoredox catalysis: redox potentials and mechanistic analysis TB Demissie, K Ruud, JH Hansen Organometallics 34 (17), 4218-4228, 2015 | 75 | 2015 |
The Absolute Shielding Constants of Heavy Nuclei: Resolving the Enigma of the 119Sn Absolute Shielding E Malkin, S Komorovsky, M Repisky, TB Demissie, K Ruud The Journal of Physical Chemistry Letters 4 (3), 459-463, 2013 | 71 | 2013 |
Mercury methylation by cobalt corrinoids: relativistic effects dictate the reaction mechanism TB Demissie, BD Garabato, K Ruud, PM Kozlowski Angewandte Chemie International Edition 55 (38), 11503-11506, 2016 | 44 | 2016 |
Synthesis, antibacterial and antioxidant activities of Thiazole-based Schiff base derivatives: a combined experimental and computational study F Lemilemu, M Bitew, TB Demissie, R Eswaramoorthy, M Endale BMC chemistry 15 (1), 67, 2021 | 40 | 2021 |
Synthesis, characterization, and biological activities of novel vanadium (IV) and cobalt (II) complexes T Damena, D Zeleke, T Desalegn, TB Demissie, R Eswaramoorthy ACS omega 7 (5), 4389-4404, 2022 | 37 | 2022 |
Ab initio and relativistic DFT study of spin–rotation and NMR shielding constants in XF6 molecules, X = S, Se, Te, Mo, and W K Ruud, TB Demissie, M Jaszuński The Journal of chemical physics 140 (19), 194308, 2014 | 36 | 2014 |
Structure and NMR spectra of some [2.2] paracyclophanes. The dilemma of [2.2] paracyclophane symmetry H Dodziuk, S Szymański, J Jaźwiński, M Ostrowski, TB Demissie, K Ruud, ... The Journal of Physical Chemistry A 115 (38), 10638-10649, 2011 | 34 | 2011 |
Four-Component Relativistic Density-Functional Theory Calculations of Nuclear Spin–Rotation Constants: Relativistic Effects in p-Block Hydrides S Komorovsky, M Repisky, E Malkin, TB Demissie, K Ruud Journal of Chemical Theory and Computation 11 (8), 3729-3739, 2015 | 33 | 2015 |
NMR absolute shielding scale and nuclear magnetic dipole moment of 207 Pb B Adrjan, W Makulski, K Jackowski, TB Demissie, K Ruud, A Antušek, ... Physical Chemistry Chemical Physics 18 (24), 16483-16490, 2016 | 31 | 2016 |
Relativistic effects on the NMR parameters of Si, Ge, Sn, and Pb alkynyl compounds: Scalar versus spin-orbit effects TB Demissie The Journal of chemical physics 147 (17), 2017 | 29 | 2017 |
Spin-rotation and NMR shielding constants in HCl M Jaszuński, M Repisky, TB Demissie, S Komorovsky, E Malkin, K Ruud, ... The Journal of Chemical Physics 139 (23), 2013 | 27 | 2013 |
Novel zinc (II) and copper (II) complexes of 2-((2-hydroxyethyl) amino) quinoline-3-carbaldehyde for antibacterial and antioxidant activities: A combined experimental, DFT, and … T Damena, MB Alem, D Zeleke, T Desalegn, R Eswaramoorthy, ... ACS omega 7 (30), 26336-26352, 2022 | 26 | 2022 |
Metal Complexes in Target‐Specific Anticancer Therapy: Recent Trends and Challenges G Shumi, T Desalegn, TB Demissie, VP Ramachandran, ... Journal of Chemistry 2022 (1), 9261683, 2022 | 24 | 2022 |
Four‐component relativistic chemical shift calculations of halogenated organic compounds TB Demissie, M Repisky, S Komorovsky, J Isaksson, JS Svendsen, ... Journal of Physical Organic Chemistry 26 (8), 679-687, 2013 | 23 | 2013 |
Temporal dynamics of intra-and extra-cellular microcystins concentrations in Koka reservoir (Ethiopia): Implications for public health risk S Tilahun, D Kifle, TW Zewde, JA Johansen, TB Demissie, JH Hansen Toxicon 168, 83-92, 2019 | 22 | 2019 |
Concentrations of microcystins in the muscle and liver tissues of fish species from Koka reservoir, Ethiopia: A potential threat to public health TW Zewde, JA Johansen, D Kifle, TB Demissie, JH Hansen, Z Tadesse Toxicon 153, 85-95, 2018 | 22 | 2018 |
Mechanism and site selectivity in visible-light photocatalyzed C–H functionalization: insights from DFT calculations TB Demissie, JH Hansen The Journal of Organic Chemistry 81 (16), 7110-7120, 2016 | 22 | 2016 |