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Taye B. Demissie - Publications

Affiliations: 
UiT The Arctic University of Norway 
Area:
Computational Chemistry; Physical Chemistry; Physical-Organic Chemistry
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29 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2018 Demissie TB, Conradie J, Vazquez-Lima H, Ruud K, Ghosh A. Rare and Nonexistent Nitrosyls: Periodic Trends and Relativistic Effects in Ruthenium and Osmium Porphyrin-Based {MNO} Complexes. Acs Omega. 3: 10513-10516. PMID 31459176 DOI: 10.1021/acsomega.8b01434  0.542
2018 Fjellaksel R, Dugalic D, Demissie TB, Riss PJ, Hjelstuen O, Sundset R, Hansen JH. An acylation-Finkelstein approach to radioiodination of bioactives: The role of amide group anchimeric assistance Journal of Physical Organic Chemistry. 31: e3835. DOI: 10.1002/Poc.3835  0.306
2017 Demissie TB, Ruud K, Hansen JH. Cryptophanes for Methane and Xenon Encapsulation: A Comparative Density Functional Theory Study of Binding Properties and NMR Chemical Shifts. The Journal of Physical Chemistry. A. 121: 9669-9677. PMID 29178799 DOI: 10.1021/Acs.Jpca.7B10595  0.628
2017 Demissie TB. Relativistic effects on the NMR parameters of Si, Ge, Sn, and Pb alkynyl compounds: Scalar versus spin-orbit effects. The Journal of Chemical Physics. 147: 174301. PMID 29117685 DOI: 10.1063/1.4996712  0.622
2017 Medved' M, Demissie TB, McKee ML, Hnyk D. The behavior of a paramagnetic system in electric and magnetic fields as exemplified by revisiting Li@B10H14. Physical Chemistry Chemical Physics : Pccp. PMID 28451659 DOI: 10.1039/C7Cp00658F  0.341
2017 Hansen J, Erdenebileg U, Demissie T. Visible-Light Photocatalytic Double C–H Functionalization of Indoles: A Synergistic Experimental and Computational Study Synlett. 28: 907-912. DOI: 10.1055/S-0036-1588719  0.301
2017 Demissie TB, Ruud K. Darmstadtium, roentgenium, and copernicium form strong bonds with cyanide International Journal of Quantum Chemistry. 118: e25393. DOI: 10.1002/Qua.25393  0.594
2016 Jaszuński M, Antušek A, Demissie TB, Komorovsky S, Repisky M, Ruud K. Indirect NMR spin-spin coupling constants in diatomic alkali halides. The Journal of Chemical Physics. 145: 244308. PMID 28049325 DOI: 10.1063/1.4972892  0.818
2016 Dodziuk H, Ruud K, Korona T, Demissie TB. Chiral recognition by fullerenes: CHFClBr enantiomers in the C82 cage. Physical Chemistry Chemical Physics : Pccp. 18: 26057-26068. PMID 27711524 DOI: 10.1039/C6Cp05030A  0.591
2016 Demissie TB, Garabato BD, Ruud K, Kozlowski PM. Mercury Methylation by Cobalt Corrinoids: Relativistic Effects Dictate the Reaction Mechanism. Angewandte Chemie (International Ed. in English). PMID 27510509 DOI: 10.1002/Anie.201606001  0.525
2016 Demissie TB, Hansen JH. Mechanism and Site-Selectivity in Visible-Light Photocatalysed C-H Functionalization: Insights from DFT Calculations. The Journal of Organic Chemistry. PMID 27347684 DOI: 10.1021/Acs.Joc.6B00977  0.353
2016 Demissie TB, Hansen JH. Synergy between experimental and computational approaches to homogeneous photoredox catalysis. Dalton Transactions (Cambridge, England : 2003). PMID 27302767 DOI: 10.1039/C6Dt01497F  0.365
2016 Adrjan B, Makulski W, Jackowski K, Demissie TB, Ruud K, Antušek A, Jaszuński M. NMR absolute shielding scale and nuclear magnetic dipole moment of (207)Pb. Physical Chemistry Chemical Physics : Pccp. 18: 16483-90. PMID 27265668 DOI: 10.1039/C6Cp01781A  0.617
2016 Demissie TB, Dodziuk H, Waluk J, Ruud K, Pietrzak M, Vetokhina V, Szymanski S, Jaźwiński J, Hopf H. Structure, NMR and Electronic Spectra of [m.n]Paracyclophanes with Varying Bridges Lengths (m, n = 2 - 4). The Journal of Physical Chemistry. A. PMID 26771219 DOI: 10.1021/Acs.Jpca.5B12168  0.578
2016 Demissie TB. Theoretical analysis of NMR shieldings in XSe and XTe (X = Si, Ge, Sn and Pb): the spin-rotation constant saga. Physical Chemistry Chemical Physics : Pccp. 18: 3112-23. PMID 26741559 DOI: 10.1039/C5Cp07025B  0.609
2015 Komorovsky S, Repisky M, Malkin E, Demissie TB, Ruud K. Four-Component Relativistic Density-Functional Theory Calculations of Nuclear Spin-Rotation Constants: Relativistic Effects in p-Block Hydrides. Journal of Chemical Theory and Computation. 11: 3729-39. PMID 26574455 DOI: 10.1021/Acs.Jctc.5B00276  0.769
2015 Demissie TB, Jaszuński M, Komorovsky S, Repisky M, Ruud K. Absolute NMR shielding scales and nuclear spin-rotation constants in (175)LuX and (197)AuX (X = (19)F, (35)Cl, (79)Br and (127)I). The Journal of Chemical Physics. 143: 164311. PMID 26520517 DOI: 10.1063/1.4934533  0.834
2015 Demissie TB, Jaszuński M, Malkin E, Komorovský S, Ruud K. NMR shielding and spin–rotation constants in XCO (X = Ni, Pd, Pt) molecules Molecular Physics. 113: 1576-1584. DOI: 10.1080/00268976.2014.993343  0.779
2015 Demissie TB, Ruud K, Hansen JH. DFT as a Powerful Predictive Tool in Photoredox Catalysis: Redox Potentials and Mechanistic Analysis Organometallics. 34: 4218-4228. DOI: 10.1021/Acs.Organomet.5B00582  0.582
2015 Demissie TB, Kostenko N, Komorovsky S, Repisky M, Isaksson J, Bayer A, Ruud K. Experimental and four-component relativistic DFT studies of tungsten carbonyl complexes Journal of Physical Organic Chemistry. 28: 723-731. DOI: 10.1002/Poc.3476  0.728
2014 Demissie TB, Repisky M, Liu H, Ruud K, Kozlowski PM. Cob(II)alamin: Relativistic DFT Analysis of the EPR Parameters. Journal of Chemical Theory and Computation. 10: 2125-36. PMID 26580539 DOI: 10.1021/Ct400769T  0.742
2014 Jaszuński M, Demissie TB, Ruud K. Spin-rotation and NMR shielding constants in XF molecules (X = B, Al, Ga, In, and Tl). The Journal of Physical Chemistry. A. 118: 9588-95. PMID 25192304 DOI: 10.1021/Jp507129Y  0.715
2014 Ruud K, Demissie TB, Jaszuński M. Ab initio and relativistic DFT study of spin-rotation and NMR shielding constants in XF₆ molecules, X = S, Se, Te, Mo, and W. The Journal of Chemical Physics. 140: 194308. PMID 24852539 DOI: 10.1063/1.4875696  0.743
2013 Malkin E, Komorovsky S, Repisky M, Demissie TB, Ruud K. The Absolute Shielding Constants of Heavy Nuclei: Resolving the Enigma of the (119)Sn Absolute Shielding. The Journal of Physical Chemistry Letters. 4: 459-63. PMID 26281741 DOI: 10.1021/Jz302146M  0.766
2013 Jaszuński M, Repisky M, Demissie TB, Komorovsky S, Malkin E, Ruud K, Garbacz P, Jackowski K, Makulski W. Spin-rotation and NMR shielding constants in HCl. The Journal of Chemical Physics. 139: 234302. PMID 24359362 DOI: 10.1063/1.4840295  0.768
2013 Demissie TB, Repisky M, Komorovsky S, Isaksson J, Svendsen JS, Dodziuk H, Ruud K. Four-component relativistic chemical shift calculations of halogenated organic compounds Journal of Physical Organic Chemistry. 26: 679-687. DOI: 10.1002/Poc.3157  0.79
2012 Hanssen KØ, Schuler B, Williams AJ, Demissie TB, Hansen E, Andersen JH, Svenson J, Blinov K, Repisky M, Mohn F, Meyer G, Svendsen JS, Ruud K, Elyashberg M, Gross L, et al. A combined atomic force microscopy and computational approach for the structural elucidation of breitfussin A and B: highly modified halogenated dipeptides from Thuiaria breitfussi. Angewandte Chemie (International Ed. in English). 51: 12238-41. PMID 23109225 DOI: 10.1002/Anie.201203960  0.712
2012 Dodziuk H, Demissie TB, Ruud K, Szyma?ski S, Ja?wi?ski J, Hopf H. Structure and NMR spectra of cyclophanes with unsaturated bridges (cyclophenes). Magnetic Resonance in Chemistry : Mrc. 50: 449-57. PMID 22539441 DOI: 10.1002/Mrc.3821  0.562
2011 Dodziuk H, Szyma?ski S, Ja?wi?ski J, Ostrowski M, Demissie TB, Ruud K, Ku? P, Hopf H, Lin ST. Structure and NMR spectra of some [2.2]paracyclophanes. The dilemma of [2.2]paracyclophane symmetry. The Journal of Physical Chemistry. A. 115: 10638-49. PMID 21848322 DOI: 10.1021/Jp205693A  0.634
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