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Taye B. Demissie
Taye B. Demissie
Associate Professor of Physical Chemistry - University of Botswana
Verifisert e-postadresse på ub.ac.bw
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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
1292012
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
1212020
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
732015
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
702013
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
652021
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
412016
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
362014
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
332021
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
332015
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
332011
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
292022
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
282017
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
282016
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
262013
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
232022
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
232013
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
222019
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
222018
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
222016
Origins of Optical Activity in an Oxo-Helicene: Experimental and Computational Studies
TB Demissie, MS Sundar, K Thangavel, V Andrushchenko, AV Bedekar, ...
ACS Omega 6 (3), 2420–2428, 2021
202021
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