| Year |
Citation |
Score |
| 2024 |
Ghosh A, Conradie J. Theoretical Photoelectron Spectroscopy of Quadruple-Bonded Dimolybdenum(II,II) and Ditungsten(II,II) Paddlewheel Complexes: Performance of Common Density Functional Theory Methods. Acs Omega. 9: 12237-12241. PMID 38496970 DOI: 10.1021/acsomega.4c00269 |
0.654 |
|
| 2024 |
Conradie J. Effect of density functional approximations on the calculated Jahn-Teller distortion in bis(terpyridine)manganese(III) and related compounds. Journal of Molecular Modeling. 30: 20. PMID 38165497 DOI: 10.1007/s00894-023-05812-0 |
0.387 |
|
| 2023 |
Tarai A, Mallick J, Singh P, Conradie J, Kar S, Ghosh A. Free-Base Corrole Anion. The Journal of Organic Chemistry. 88: 13022-13029. PMID 37647416 DOI: 10.1021/acs.joc.3c01125 |
0.628 |
|
| 2023 |
Alemayehu AB, Abernathy MJ, Conradie J, Sarangi R, Ghosh A. Rhenium Biscorrole Sandwich Compounds: XAS Evidence for a New Coordination Motif. Inorganic Chemistry. PMID 37219484 DOI: 10.1021/acs.inorgchem.3c00632 |
0.805 |
|
| 2023 |
Tomat E, Curtis CJ, Astashkin AV, Conradie J, Ghosh A. Multicenter interactions and ligand field effects in platinum(II) tripyrrindione radicals. Dalton Transactions (Cambridge, England : 2003). 52: 6559-6568. PMID 37185585 DOI: 10.1039/d3dt00894k |
0.679 |
|
| 2023 |
Kielesiński Ł, Summa FF, Conradie J, Honig HC, Friedman A, Monaco G, Elbaz L, Ghosh A, Gryko DT. Nonaromatic naphthocorroles. Chemical Communications (Cambridge, England). PMID 37066703 DOI: 10.1039/d3cc01083j |
0.597 |
|
| 2023 |
Ghosh A, Conradie J. B and F models: Metal- versus ligand-centered redox in cobalt and nickel tetradehydrocorrin derivatives. Journal of Inorganic Biochemistry. 243: 112199. PMID 36996695 DOI: 10.1016/j.jinorgbio.2023.112199 |
0.678 |
|
| 2023 |
Ghosh A, Conradie J. The Perfluoro Cage Effect: A Search for Electron-Encapsulating Molecules. Acs Omega. 8: 4972-4975. PMID 36777561 DOI: 10.1021/acsomega.2c07374 |
0.629 |
|
| 2022 |
Ghosh A, Conradie J. Theoretical Photoelectron Spectroscopy of Low-Valent Carbon Species: A ∼6 eV Range of Ionization Potentials among Carbenes, Ylides, and Carbodiphosphoranes. Acs Organic & Inorganic Au. 3: 92-95. PMID 37035281 DOI: 10.1021/acsorginorgau.2c00045 |
0.597 |
|
| 2022 |
Ghosh A, Conradie J. Porphyryne. Acs Omega. 7: 40275-40278. PMID 36385855 DOI: 10.1021/acsomega.2c05199 |
0.636 |
|
| 2022 |
Ghosh A, Conradie J. Twist-Bent Bonds Revisited: Adiabatic Ionization Potentials Demystify Enhanced Reactivity. Acs Omega. 7: 37917-37921. PMID 36312406 DOI: 10.1021/acsomega.2c05074 |
0.626 |
|
| 2022 |
Sahu K, Angeloni S, Conradie J, Villa M, Nayak M, Ghosh A, Ceroni P, Kar S. NIR-emissive, singlet-oxygen-sensitizing gold tetra(thiocyano)corroles. Dalton Transactions (Cambridge, England : 2003). 51: 13236-13245. PMID 35968801 DOI: 10.1039/d2dt01959k |
0.595 |
|
| 2021 |
Conradie J, Vazquez-Lima H, Alemayehu AB, Ghosh A. Comparing Isoelectronic, Quadruple-Bonded Metalloporphyrin and Metallocorrole Dimers: Scalar-Relativistic DFT Calculations Predict a >1 eV Range for Ionization Potential and Electron Affinity. Acs Physical Chemistry Au. 2: 70-78. PMID 36855506 DOI: 10.1021/acsphyschemau.1c00030 |
0.817 |
|
| 2021 |
Conradie J, Alemayehu AB, Ghosh A. Iridium(VII)-Corrole Terminal Carbides Should Exist as Stable Compounds. Acs Organic & Inorganic Au. 2: 159-163. PMID 36855452 DOI: 10.1021/acsorginorgau.1c00029 |
0.804 |
|
| 2021 |
Ghosh A, Conradie J. The Dog That Didn't Bark: A New Interpretation of Hypsoporphyrin Spectra and the Question of Hypsocorroles. The Journal of Physical Chemistry. A. PMID 34762440 DOI: 10.1021/acs.jpca.1c08425 |
0.642 |
|
| 2021 |
Conradie J, Wamser CC, Ghosh A. Understanding Hyperporphyrin Spectra: TDDFT Calculations on Diprotonated Tetrakis(-aminophenyl)porphyrin. The Journal of Physical Chemistry. A. PMID 34714662 DOI: 10.1021/acs.jpca.1c06621 |
0.633 |
|
| 2021 |
Conradie MM, Langner EHG, Conradie J. DFT data to relate calculated LUMO energy with experimental reduction potentials of Cu(II)-β-diketonato complexes. Data in Brief. 38: 107331. PMID 34504917 DOI: 10.1016/j.dib.2021.107331 |
0.31 |
|
| 2021 |
Vazquez-Lima H, Conradie J, Johansen MAL, Martinsen SR, Alemayehu AB, Ghosh A. Heavy-element-ligand covalence: ligand noninnocence in molybdenum and tungsten Viking-helmet Corroles. Dalton Transactions (Cambridge, England : 2003). PMID 34473174 DOI: 10.1039/d1dt01970h |
0.818 |
|
| 2021 |
Curtis CJ, Astashkin AV, Conradie J, Ghosh A, Tomat E. Ligand-Centered Triplet Diradical Supported by a Binuclear Palladium(II) Dipyrrindione. Inorganic Chemistry. PMID 34347474 DOI: 10.1021/acs.inorgchem.1c01691 |
0.692 |
|
| 2021 |
Braband H, Benz M, Spingler B, Conradie J, Alberto R, Ghosh A. Relativity as a Synthesis Design Principle: A Comparative Study of [3 + 2] Cycloaddition of Technetium(VII) and Rhenium(VII) Trioxo Complexes with Olefins. Inorganic Chemistry. PMID 34255507 DOI: 10.1021/acs.inorgchem.1c00995 |
0.655 |
|
| 2021 |
Alemayehu AB, McCormick-McPherson LJ, Conradie J, Ghosh A. Rhenium Corrole Dimers: Electrochemical Insights into the Nature of the Metal-Metal Quadruple Bond. Inorganic Chemistry. PMID 33998801 DOI: 10.1021/acs.inorgchem.1c00986 |
0.798 |
|
| 2020 |
Thomas KE, Desbois N, Conradie J, Teat SJ, Gros CP, Ghosh A. Gold dipyrrin-bisphenolates: a combined experimental and DFT study of metal-ligand interactions. Rsc Advances. 10: 533-540. PMID 35492572 DOI: 10.1039/c9ra09228e |
0.784 |
|
| 2020 |
Hough MA, Conradie J, Strange RW, Antonyuk SV, Eady RR, Ghosh A, Hasnain SS. Nature of the copper-nitrosyl intermediates of copper nitrite reductases during catalysis. Chemical Science. 11: 12485-12492. PMID 34094452 DOI: 10.1039/d0sc04797j |
0.601 |
|
| 2020 |
Swarts PJ, Conradie J. Oxidation and reduction data of four subphthalocyanines with axially coordinated ferrocenylcarboxylic acids. Data in Brief. 31: 105816. PMID 32566713 DOI: 10.1016/J.Dib.2020.105816 |
0.336 |
|
| 2020 |
Swarts PJ, Conradie J. Synthesis, Spectroscopy, Electrochemistry and DFT of Electron-Rich Ferrocenylsubphthalocyanines. Molecules (Basel, Switzerland). 25. PMID 32492953 DOI: 10.3390/Molecules25112575 |
0.343 |
|
| 2020 |
Conradie J, von Eschwege KG. Cyclic voltammograms and electrochemical data of Fe polypyridine complexes. Data in Brief. 31: 105754. PMID 32490100 DOI: 10.1016/J.Dib.2020.105754 |
0.362 |
|
| 2020 |
Swarts PJ, Conradie J. Redox and Photophysical Properties of Four Subphthalocyanines Containing Ferrocenylcarboxylic Acid as Axial Ligands. Inorganic Chemistry. PMID 32432463 DOI: 10.1021/Acs.Inorgchem.0C00150 |
0.398 |
|
| 2020 |
Conradie J. Computational DFT data related to the redox behaviour of tris(β-diketonato)ruthenium(III) compounds. Data in Brief. 30: 105617. PMID 32395584 DOI: 10.1016/J.Dib.2020.105617 |
0.359 |
|
| 2020 |
Thomas KE, Conradie J, Beavers CM, Ghosh A. Free-base porphyrins with localized NH protons. Can substituents alone stabilize the elusive cis tautomer? Organic & Biomolecular Chemistry. PMID 32215434 DOI: 10.1039/D0Ob00452A |
0.742 |
|
| 2020 |
Conradie J. Tris(β-ketoiminato)ruthenium(III) - Structural and electronic data of the neutral, oxidized and reduced forms. Data in Brief. 28: 104833. PMID 31828192 DOI: 10.1016/J.Dib.2019.104833 |
0.432 |
|
| 2020 |
Thomas KE, Desbois N, Conradie J, Teat SJ, Gros CP, Ghosh A. Gold dipyrrin-bisphenolates: a combined experimental and DFT study of metal–ligand interactions Rsc Advances. 10: 533-540. DOI: 10.1039/C9Ra09228E |
0.751 |
|
| 2020 |
Muller F, Conradie J, von Eschwege K. Synthesis, DFT and kinetic studies of chromic S-methyldithizone Polyhedron. 179: 114386. DOI: 10.1016/J.Poly.2020.114386 |
0.386 |
|
| 2020 |
Muller FM, von Eschwege KG, Conradie J. Conformational preference of nitroformazans: A computational study Journal of Molecular Structure. 1203: 127463. DOI: 10.1016/J.Molstruc.2019.127463 |
0.348 |
|
| 2020 |
Truscott JC, Kama DV, Visser HG, Conradie J. Synthesis, structure and DFT study of novel Ga(III) complexes containing a tetradentate ligand Journal of Molecular Structure. 1203: 127334. DOI: 10.1016/J.Molstruc.2019.127334 |
0.391 |
|
| 2020 |
Gostynski R, van Rooyen PH, Conradie J. X-ray diffraction and QTAIM calculations of the non-covalent intermolecular fluorine-fluorine interactions in tris(trifluoroacetylacetonato)-manganese(III) Journal of Molecular Structure. 1201: 127119. DOI: 10.1016/J.Molstruc.2019.127119 |
0.388 |
|
| 2020 |
Swarts PJ, Conradie J. Solvent and substituent effect on electrochemistry of ferrocenylcarboxylic acids Journal of Electroanalytical Chemistry. 866: 114164. DOI: 10.1016/J.Jelechem.2020.114164 |
0.351 |
|
| 2020 |
Chiyindiko E, Stuurman NF, Langner EH, Conradie J. Electrochemical behaviour of bis(β-diketonato)copper(II) complexes containing γ-substituted β-diketones Journal of Electroanalytical Chemistry. 860: 113929. DOI: 10.1016/J.Jelechem.2020.113929 |
0.388 |
|
| 2020 |
Conradie J. Redox behaviour of [Ru(β-diketonato)3] compounds Electrochimica Acta. 337: 135801. DOI: 10.1016/J.Electacta.2020.135801 |
0.396 |
|
| 2020 |
Swarts PJ, Conradie J. Electrochemical behaviour of chloro- and hydroxy- subphthalocyanines Electrochimica Acta. 329: 135165. DOI: 10.1016/J.Electacta.2019.135165 |
0.359 |
|
| 2020 |
Adeniyi A, Conradie J. Cyclic Voltammetric and DFT analysis of the reduction of Manganese(III) Complexes with 2‐Hydroxybenzophenones Electroanalysis. DOI: 10.1002/Elan.202060362 |
0.401 |
|
| 2020 |
Adeniyi AA, Ngake TL, Conradie J. Cyclic Voltammetric Study of 2‐hydroxybenzophenone (HBP) Derivatives and the Correspondent Change in the Orbital Energy Levels in Different Solvents Electroanalysis. DOI: 10.1002/Elan.202060163 |
0.301 |
|
| 2019 |
van der Westhuizen D, von Eschwege KG, Conradie J. Electrochemical data of polypyridine complexes of Ru(II). Data in Brief. 27: 104759. PMID 31763411 DOI: 10.1016/J.Dib.2019.104759 |
0.369 |
|
| 2019 |
Conradie J. Density functional theory calculated data of different electronic states and bond stretch isomers of tris(trifluoroacetylacetonato)-manganese(III). Data in Brief. 27: 104758. PMID 31763410 DOI: 10.1016/J.Dib.2019.104758 |
0.432 |
|
| 2019 |
Caulfield KP, Conradie J, Arman HD, Ghosh A, Tonzetich ZJ. Iron(II) Corrole Anions. Inorganic Chemistry. PMID 31697493 DOI: 10.1021/Acs.Inorgchem.9B02209 |
0.68 |
|
| 2019 |
Buitendach BE, Conradie J, Malan FP, Niemantsverdriet JWH, Swarts JC. Synthesis, Spectroscopy and Electrochemistry in Relation to DFT Computed Energies of Ferrocene- and Ruthenocene-Containing -Diketonato Iridium(III) Heteroleptic Complexes. Structure of [(2-Pyridylphenyl)Ir(RcCOCHCOCH]. Molecules (Basel, Switzerland). 24. PMID 31671705 DOI: 10.3390/Molecules24213923 |
0.383 |
|
| 2019 |
Conradie J. Bis(acetylacetonato)copper(II) - structural and electronic data of the neutral, oxidized and reduced forms. Data in Brief. 26: 104511. PMID 31667274 DOI: 10.1016/J.Dib.2019.104511 |
0.382 |
|
| 2019 |
Malloum A, Fifen JJ, Conradie J. Large-Sized Ammonia Clusters and Solvation Energies of the Proton in Ammonia. Journal of Computational Chemistry. PMID 31568565 DOI: 10.1002/Jcc.26071 |
0.313 |
|
| 2019 |
Truscott JC, Conradie J, Swart HC, Duvenhage MM, Visser HG. Synthesis, crystal structures, photoluminescence, electrochemistry and DFT study of aluminium(III) and gallium(III) complexes containing a novel tetradentate Schiff base ligand. Acta Crystallographica. Section C, Structural Chemistry. 75: 1045-1052. PMID 31380786 DOI: 10.1107/S2053229619008805 |
0.423 |
|
| 2019 |
Conradie J, Ghosh A. Theoretical Search for the Highest Valence States of the Coinage Metals: Roentgenium Heptafluoride May Exist. Inorganic Chemistry. PMID 31203606 DOI: 10.1021/Acs.Inorgchem.9B01139 |
0.708 |
|
| 2019 |
Ghosh A, Conradie J. Stereochemistry of Transition-Metal Dinitrosyl Complexes. A Molecular Orbital Rationale for the Attracto and Repulso Conformations. Inorganic Chemistry. PMID 30986051 DOI: 10.1021/Acs.Inorgchem.9B00266 |
0.699 |
|
| 2019 |
Conradie J, Foroutan-Nejad C, Ghosh A. Norcorrole as a Delocalized, Antiaromatic System. Scientific Reports. 9: 4852. PMID 30890733 DOI: 10.1038/S41598-019-39972-Y |
0.661 |
|
| 2019 |
Conradie J, Brothers PJ, Ghosh A. Main-Group-Element Isophlorin Complexes Revisited: The Question of a Subvalent Central Atom. Inorganic Chemistry. PMID 30874434 DOI: 10.1021/Acs.Inorgchem.9B00201 |
0.679 |
|
| 2019 |
Adeniyi AA, Conradie J. Computational insight into the contribution of para-substituents on the reduction potential, proton affinity, and electronic properties of nitrobenzene compounds. Journal of Molecular Modeling. 25: 78. PMID 30809733 DOI: 10.1007/S00894-019-3946-2 |
0.391 |
|
| 2019 |
Shan W, Desbois N, Pacquelet S, Stéphane Brandès, Rousselin Y, Conradie J, Ghosh A, Gros CP, Kadish KM. Ligand Noninnocence in Cobalt Dipyrrin-Bisphenols: Spectroscopic, Electrochemical, and Theoretical Insights Indicating an Emerging Analogy with Corroles. Inorganic Chemistry. PMID 30653313 DOI: 10.1021/Acs.Inorgchem.8B03006 |
0.707 |
|
| 2019 |
Ferreira H, Conradie MM, Conradie J. Cyclic voltammetry data of polypyridine ligands and Co(II)-polypyridine complexes. Data in Brief. 22: 436-445. PMID 30619920 DOI: 10.1016/J.Dib.2018.12.043 |
0.399 |
|
| 2019 |
Twigge L, Swarts JC, Conradie J. 103Rh NMR shifts of RhI-β-diketonato and RhI-β-aminoketonato complexes influenced by different substituents Polyhedron. 169: 14-23. DOI: 10.1016/J.Poly.2019.04.052 |
0.328 |
|
| 2019 |
Chiyindiko E, Malan FP, Langner EH, Conradie J. Conformational study of [Cu(CF3COCHCO(C4H3X))2] (X = O or S), a combined experimental and DFT study Journal of Molecular Structure. 1198: 126916. DOI: 10.1016/J.Molstruc.2019.126916 |
0.418 |
|
| 2019 |
Chiyindiko E, Conradie J. Redox behaviour of bis(β-diketonato)copper(II) complexes Journal of Electroanalytical Chemistry. 837: 76-85. DOI: 10.1016/J.Jelechem.2019.02.011 |
0.433 |
|
| 2019 |
Conradie J. Jahn-Teller effect in high spin d4 and d9 octahedral metal-complexes Inorganica Chimica Acta. 486: 193-199. DOI: 10.1016/J.Ica.2018.10.040 |
0.43 |
|
| 2019 |
Ferreira H, Conradie MM, Conradie J. Electrochemical and electronic properties of a series of substituted polypyridine ligands and their Co(II) complexes Inorganica Chimica Acta. 486: 26-35. DOI: 10.1016/J.Ica.2018.10.020 |
0.413 |
|
| 2019 |
Conradie J, Conradie M, Mtshali Z, van der Westhuizen D, Tawfiq K, Al-Jeboori M, Coles S, Wilson C, Potgieter J. Synthesis, characterisation and electrochemistry of eight Fe coordination compounds containing substituted 2-(1-(4-R-phenyl-1H-1,2,3-triazol-4-yl)pyridine ligands, R = CH3, OCH3, COOH, F, Cl, CN, H and CF3 Inorganica Chimica Acta. 484: 375-385. DOI: 10.1016/J.Ica.2018.09.056 |
0.398 |
|
| 2019 |
Ngake TL, Potgieter JH, Conradie J. Tris(β-ketoiminato)ruthenium(III) complexes: Electrochemical and computational chemistry study Electrochimica Acta. 320: 134635. DOI: 10.1016/J.Electacta.2019.134635 |
0.441 |
|
| 2019 |
van der Westhuizen D, von Eschwege KG, Conradie J. Electrochemistry and spectroscopy of substituted [Ru(phen)3]2+ and [Ru(bpy)3]2+ complexes Electrochimica Acta. 320: 134540. DOI: 10.1016/J.Electacta.2019.07.051 |
0.453 |
|
| 2019 |
Adeniyi AA, Conradie J. Influence of substituents on the reduction potential and pKa values of β-diketones tautomers: A theoretical study Electrochimica Acta. 297: 947-960. DOI: 10.1016/J.Electacta.2018.12.030 |
0.365 |
|
| 2019 |
Ngake TL, Potgieter JH, Conradie J. Electrochemical behaviour of amino substituted β-amino α,β-unsaturated ketones: A computational chemistry and experimental study Electrochimica Acta. 296: 1070-1082. DOI: 10.1016/J.Electacta.2018.11.144 |
0.365 |
|
| 2019 |
Adeniyi AA, Conradie J. A theoretical investigation of the fragment interaction and nonlinear optical and electronic properties of tris(β-diketonato)iron(III) complexes Structural Chemistry. 31: 215-232. DOI: 10.1007/S11224-019-01388-9 |
0.425 |
|
| 2019 |
Adeniyi AA, Conradie J. Electronic effect of β‐diketonato ligands on the redox potential of
fac
and
mer
tris(β‐diketonato) iron(III) complexes: A density functional theory study and molecular electrostatic potential analysis International Journal of Quantum Chemistry. 119. DOI: 10.1002/Qua.26036 |
0.433 |
|
| 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 |
0.812 |
|
| 2018 |
Conradie J. Structural and electronic data of three first-row transition octahedral hexaaquametal(II) ions, metal=Cr, Ni or Cu. Data in Brief. 21: 2051-2058. PMID 30533451 DOI: 10.1016/J.Dib.2018.11.055 |
0.368 |
|
| 2018 |
Conradie J, Conradie MM, Mtshali Z, Potgieter JH. DFT and CV data of 4-phenyl-substituted dichloro(bis{2-[1-(phenyl)-1H-1,2,3-triazol-4-yl-κN]pyridine-κN})iron(II) coordination compounds. Data in Brief. 21: 1458-1471. PMID 30456271 DOI: 10.1016/J.Dib.2018.10.085 |
0.392 |
|
| 2018 |
Malloum A, Fifen JJ, Conradie J. Solvation energies of the proton in methanol revisited and temperature effects. Physical Chemistry Chemical Physics : Pccp. PMID 30427006 DOI: 10.1039/C8Cp05823G |
0.341 |
|
| 2018 |
Ferreira H, Conradie MM, Conradie J. Electrochemical data of Co(II) complexes containing phenanthroline functionalized ligands. Data in Brief. 21: 866-877. PMID 30426038 DOI: 10.1016/J.Dib.2018.10.046 |
0.367 |
|
| 2018 |
Brothers P, Tay ACY, Frogley B, Ware DC, Conradie J, Ghosh A. Tetrahedral Pegs in Square Holes: Stereochemistry of Diboron Porphyrazines and Phthalocyanines. Angewandte Chemie (International Ed. in English). PMID 30379390 DOI: 10.1002/Anie.201810704 |
0.659 |
|
| 2018 |
Ghosh A, Larsen S, Conradie J, Foroutan-Nejad C. Local versus global aromaticity in azuliporphyrin and benziporphyrin derivatives. Organic & Biomolecular Chemistry. PMID 30325395 DOI: 10.1039/C8Ob01672K |
0.787 |
|
| 2018 |
Conradie J, Conradie MM, Tawfiq KM, Al-Jeboori MJ, D'Silva C, Coles SJ, Wilson C, Potgieter JH. Chemical and structural data of (1,2,3-triazol-4-yl)pyridine-containing coordination compounds. Data in Brief. 20: 1397-1408. PMID 30255118 DOI: 10.1016/J.Dib.2018.08.125 |
0.399 |
|
| 2018 |
Foroutan-Nejad C, Larsen S, Conradie J, Ghosh A. Isocorroles as Homoaromatic NIR-Absorbing Chromophores: A First Quantum Chemical Study. Scientific Reports. 8: 11952. PMID 30097587 DOI: 10.1038/S41598-018-29819-3 |
0.777 |
|
| 2018 |
Adeniyi AA, Conradie J. The stability, kinetics and inter-fragment electron communication of the tautomers of twelve selected β-diketone molecules: A computational study. Journal of Molecular Graphics & Modelling. 85: 25-39. PMID 30053758 DOI: 10.1016/J.Jmgm.2018.06.019 |
0.346 |
|
| 2018 |
Malloum A, Fifen JJ, Conradie J. Structures and spectroscopy of the ammonia eicosamer, (NH). The Journal of Chemical Physics. 149: 024304. PMID 30007393 DOI: 10.1063/1.5031790 |
0.334 |
|
| 2018 |
Ganguly S, McCormick LJ, Conradie J, Gagnon KJ, Sarangi R, Ghosh A. Electronic Structure of Manganese Corroles Revisited: X-ray Structures, Optical and X-ray Absorption Spectroscopies, and Electrochemistry as Probes of Ligand Noninnocence. Inorganic Chemistry. PMID 29873229 DOI: 10.1021/Acs.Inorgchem.8B00537 |
0.76 |
|
| 2018 |
Malan FP, Singleton E, van Rooyen PH, Conradie J, Landman M. Base-free glucose dehydration catalysed by NHC-stabilised heterohalo cyclopentadienyl Cr(iii) complexes New Journal of Chemistry. 42: 19193-19204. DOI: 10.1039/C8Nj04804E |
0.304 |
|
| 2018 |
Conradie J, Conradie MM, Tawfiq KM, Coles SJ, Tizzard GJ, Wilson C, Potgieter JH. Jahn–Teller distortion in 2-pyridyl-(1,2,3)-triazole-containing copper(ii) compounds New Journal of Chemistry. 42: 16335-16345. DOI: 10.1039/C8Nj03080D |
0.335 |
|
| 2018 |
Landman M, Jansen van Rensburg A, van Rooyen PH, Conradie MM, Conradie J. Triphenylstibine-substituted Fischer carbene complexes of tungsten(0): synthesis, structure, DFT and electrochemistry New Journal of Chemistry. 42: 7301-7313. DOI: 10.1039/C8Nj01008K |
0.399 |
|
| 2018 |
Stuurman NF, Buitendach BE, Twigge L, Swarts PJ, Conradie J. Rhodium(triphenylphosphine)carbonyl-2,4-dioxo-3-pentyl-4-decanyloxybenzoate: synthesis, electrochemistry and oxidative addition kinetics New Journal of Chemistry. 42: 4121-4132. DOI: 10.1039/C7Nj05039A |
0.349 |
|
| 2018 |
Kuhn A, Conradie J. Orbital control over the metal vs. ligand reduction in a series of neutral and cationic bis(cyclopentadienyl) Ti(iv) complexes New Journal of Chemistry. 42: 662-670. DOI: 10.1039/C7Nj03746E |
0.45 |
|
| 2018 |
Conradie J, Conradie M, Tawfiq K, Al-Jeboori M, Coles S, Wilson C, Potgieter J. Novel dichloro(bis{2-[1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl-κN3]pyridine-κN})metal(II) coordination compounds of seven transition metals (Mn, Fe, Co, Ni, Cu, Zn and Cd) Polyhedron. 151: 243-254. DOI: 10.1016/J.Poly.2018.03.026 |
0.42 |
|
| 2018 |
Conradie J, Conradie M, Tawfiq K, Al-Jeboori M, Coles S, Wilson C, Potgieter J. Synthesis, characterization, experimental and theoretical structure of novel Dichloro(bis{2-[1-(4-methoxyphenyl)-1H-1,2,3-triazol-4-yl-κN3]pyridine-κN})metal(II) compounds, metal = Mn, Co and Ni Journal of Molecular Structure. 1161: 89-99. DOI: 10.1016/J.Molstruc.2018.02.036 |
0.416 |
|
| 2018 |
von Eschwege KG, Conradie J. Iron phenanthrolines: A density functional theory study Inorganica Chimica Acta. 471: 391-396. DOI: 10.1016/J.Ica.2017.11.047 |
0.444 |
|
| 2018 |
Ferreira H, Conradie MM, Conradie J. Electrochemical properties of a series of Co(II) complexes, containing substituted phenanthrolines Electrochimica Acta. 292: 489-501. DOI: 10.1016/J.Electacta.2018.09.151 |
0.459 |
|
| 2017 |
Conradie J, Ghosh A. Energetics of Saddling versus Ruffling in Metalloporphyrins: Unusual Ruffled Dodecasubstituted Porphyrins. Acs Omega. 2: 6708-6714. PMID 31457262 DOI: 10.1021/acsomega.7b01004 |
0.646 |
|
| 2017 |
Ganguly S, Conradie J, Bendix J, Gagnon KJ, McCormick LJ, Ghosh A. Electronic Structure of Cobalt-Corrole-Pyridine Complexes: Noninnocent Five-Coordinate Co(II) Corrole-Radical States. The Journal of Physical Chemistry. A. PMID 29227102 DOI: 10.1021/Acs.Jpca.7B09440 |
0.799 |
|
| 2017 |
Ganguly S, Renz D, Giles LJ, Gagnon KJ, McCormick LJ, Conradie J, Sarangi R, Ghosh A. Cobalt- and Rhodium-Corrole-Triphenylphosphine Complexes Revisited: The Question of a Noninnocent Corrole. Inorganic Chemistry. 56: 14788-14800. PMID 29210572 DOI: 10.1021/Acs.Inorgchem.7B01828 |
0.787 |
|
| 2017 |
Adeniyi AA, Akintayo CO, Akintayo ET, Conradie J. Intra-molecular electron communication, spectroscopic and conformational stability of the newly developed urethane modified polyetheramide coatings: Computational methods. Journal of Molecular Graphics & Modelling. 78: 1-13. PMID 28964992 DOI: 10.1016/J.Jmgm.2017.09.013 |
0.328 |
|
| 2017 |
Conradie J, Ghosh A. The Blue-Violet Color of Pentamethylbismuth: A Visible Spin-Orbit Effect. Chemistryopen. 6: 15-17. PMID 28168144 DOI: 10.1002/Ope |
0.68 |
|
| 2017 |
Song Y, Fang Y, Ou Z, Capar J, Wang C, Conradie J, Thomas KE, Wamser CC, Ghosh A, Kadish KM. Influence of β-octabromination on free-base triarylcorroles: Electrochemistry and protonation-deprotonation reactions in nonaqueous media Journal of Porphyrins and Phthalocyanines. 21: 633-645. DOI: 10.1142/S1088424617500602 |
0.773 |
|
| 2017 |
Gostynski R, Conradie J, Erasmus E. Significance of the electron-density of molecular fragments on the properties of manganese(iii) β-diketonato complexes: an XPS and DFT study Rsc Advances. 7: 27718-27728. DOI: 10.1039/C7Ra04921H |
0.421 |
|
| 2017 |
Kumar S, Purcell W, Conradie J, Bragg RR, Langner EHG. Synthesis, characterization, computational and antimicrobial activities of a novel iridium thiourea complex New Journal of Chemistry. 41: 10919-10928. DOI: 10.1039/C7Nj02019H |
0.331 |
|
| 2017 |
Jansen van Rensburg A, Landman M, van Rooyen PH, Conradie MM, Erasmus E, Conradie J. Structural and electronic features of triphenylstibine-functionalized Fischer carbene complexes of molybdenum(0) Polyhedron. 133: 307-318. DOI: 10.1016/J.Poly.2017.05.042 |
0.49 |
|
| 2017 |
Conradie J. Mechanistic investigation of cis and trans oxidative addition to acetylacetonato-1,5-cyclooctadieneiridium(I) Polyhedron. 123: 252-258. DOI: 10.1016/J.Poly.2016.12.002 |
0.369 |
|
| 2017 |
Ferreira H, Conradie MM, von Eschwege KG, Conradie J. Electrochemical and DFT study of the reduction of substituted phenanthrolines Polyhedron. 122: 147-154. DOI: 10.1016/J.Poly.2016.11.018 |
0.437 |
|
| 2017 |
Malan FP, Singleton E, van Rooyen PH, Conradie J, Landman M. Synthesis, structure and DFT conformation analysis of CpNiX(NHC) and NiX2(NHC)2 (X = SPh or Br) complexes Journal of Molecular Structure. 1147: 235-243. DOI: 10.1016/J.Molstruc.2017.06.086 |
0.475 |
|
| 2017 |
Gostynski R, Fraser R, Landman M, Erasmus E, Conradie J. Synthesis and XPS characterization of Si-supported chromium(0) Fischer aminocarbene complexes Journal of Organometallic Chemistry. 836: 62-67. DOI: 10.1016/J.Jorganchem.2017.03.001 |
0.331 |
|
| 2017 |
Conradie J. A comparative DFT study of stacking interactions between adjacent metal atoms in linear chains of Ir and Rh acetylacetonato complexes Journal of Organometallic Chemistry. 833: 88-94. DOI: 10.1016/J.Jorganchem.2017.01.032 |
0.384 |
|
| 2017 |
Jansen van Rensburg A, Landman M, Conradie MM, Erasmus E, Conradie J. Electrochemistry of triphenylstibine-functionalized Fischer carbene complexes of Molybdenum(0) Electrochimica Acta. 246: 897-907. DOI: 10.1016/J.Electacta.2017.06.103 |
0.419 |
|
| 2017 |
Conradie J. Stacking of dicarbonylacetylacetonatorhodium(I) molecules Computational and Theoretical Chemistry. 1101: 30-35. DOI: 10.1016/J.Comptc.2016.12.024 |
0.353 |
|
| 2016 |
Walter MR, Dzul SP, Rodrigues AV, Stemmler TL, Telser J, Conradie J, Ghosh A, Harrop TC. Synthesis of Co(II)-NO(-) Complexes and Their Reactivity as a Source of Nitroxyl. Journal of the American Chemical Society. PMID 27562882 DOI: 10.1021/Jacs.6B05896 |
0.699 |
|
| 2016 |
Vazquez-Lima H, Conradie J, Ghosh A. Metallocorrole Interactions with Carbon Monoxide, Nitric Oxide, and Nitroxyl-A DFT Study of Low-Energy Bound States. Inorganic Chemistry. PMID 27525455 DOI: 10.1021/Acs.Inorgchem.6B01189 |
0.793 |
|
| 2016 |
Conradie J, Ghosh A. Metalloporphyrin-Nitroxyl Interactions: The Low-Energy States of Reduced Manganese, Iron, and Cobalt Porphyrin Nitrosyls. The Journal of Physical Chemistry. B. PMID 27245286 DOI: 10.1021/Acs.Jpcb.6B04983 |
0.688 |
|
| 2016 |
Gostynski R, Conradie MM, Liu RY, Conradie J. Electronic Influence of Different β-Diketonato Ligands on the Electrochemical Behaviour of Tris(β-Diketonato)M(III) Complexes, M = Cr, Mn and Fe Journal of Nano Research. 44: 252-264. DOI: 10.4028/Www.Scientific.Net/Jnanor.44.252 |
0.351 |
|
| 2016 |
Gostynski R, Landman M, Conradie J. Electrochemical Behaviour of Cr and W Fischer Ethoxy Carbene Complexes: A Comparative Study Journal of Nano Research. 44: 1-9. DOI: 10.4028/Www.Scientific.Net/Jnanor.44.1 |
0.363 |
|
| 2016 |
Purcell W, Conradie J, Kumar S, Venter JA. Characterization and oxidative addition reactions for iridium cod complexes Journal of Coordination Chemistry. 70: 10-24. DOI: 10.1080/00958972.2016.1261402 |
0.402 |
|
| 2016 |
Chiweshe TT, Landman M, Conradie J, Von Eschwege KG. Synthesis and structure of dithizonato complexes of antimony(III), copper(II) and tin(IV) Journal of Coordination Chemistry. 69: 788-800. DOI: 10.1080/00958972.2016.1145213 |
0.47 |
|
| 2016 |
Conradie J, Erasmus E. XPS Fe 2p peaks from iron tris(β-diketonates): Electronic effect of the β-diketonato ligand Polyhedron. 119: 142-150. DOI: 10.1016/J.Poly.2016.08.042 |
0.425 |
|
| 2016 |
van Rooyen PH, Conradie J. Orientation of trimethylolethane cyclic phosphite in rhodium complexes: Structure of [Rh(CH3COCHCOCH3)(CO)(P(OCH2)3CCH3)] Polyhedron. 111: 161-166. DOI: 10.1016/J.Poly.2016.03.032 |
0.306 |
|
| 2016 |
Conradie MM, van Rooyen PH, Conradie J. X-ray and electronic structure of tris(benzoylacetonato-κ2O,O′)iron(III) Journal of Molecular Structure. 1123: 199-205. DOI: 10.1016/J.Molstruc.2016.06.027 |
0.319 |
|
| 2016 |
Purcell W, Conradie J, Kumar S, Venter JA. Characterisation and mechanistic study of the oxidative addition reactions of [Ir(cod)(sacac)] Journal of Organometallic Chemistry. 801: 80-86. DOI: 10.1016/J.Jorganchem.2015.10.012 |
0.319 |
|
| 2016 |
Kuhn A, Tischlik S, Hopmann KH, Landman M, van Rooyen PH, Conradie J. Structure, substitution and hydrolysis of Bis(trifluorobenzoylacetonato-O,O′)dichloro titanium(IV): An experimental and computational study Inorganica Chimica Acta. 453: 345-356. DOI: 10.1016/J.Ica.2016.08.034 |
0.618 |
|
| 2016 |
Kuhn A, Conradie J. Synthesis, electrochemical and DFT study of octahedral bis(β-diketonato)-titanium(IV) complexes Inorganica Chimica Acta. 453: 247-256. DOI: 10.1016/J.Ica.2016.08.010 |
0.457 |
|
| 2016 |
Liu R, Van Rooyen PH, Conradie J. Geometrical isomers of tris(β-diketonato)metal(III) complexes for M = Cr or Co: Synthesis, X-ray structures and DFT study Inorganica Chimica Acta. 447: 59-65. DOI: 10.1016/J.Ica.2016.03.019 |
0.448 |
|
| 2016 |
van Rensburg AJ, Landman M, Erasmus E, van der Westhuizen D, Ferreira H, Conradie MM, Conradie J. Electrochemical and X-ray photoelectron spectroscopic insights into Molybdenum(0) Fischer ethoxycarbene complexes Electrochimica Acta. 219: 204-213. DOI: 10.1016/J.Electacta.2016.09.143 |
0.435 |
|
| 2016 |
Ferreira H, von Eschwege KG, Conradie J. Electronic properties of Fe charge transfer complexes – A combined experimental and theoretical approach Electrochimica Acta. 216: 339-346. DOI: 10.1016/J.Electacta.2016.09.034 |
0.396 |
|
| 2016 |
Conradie J. Bond stretch isomers of d4 tris(benzoylacetonato-κ2O,O′)Mn(III) Computational and Theoretical Chemistry. 1087: 1-5. DOI: 10.1016/J.Comptc.2016.04.022 |
0.436 |
|
| 2016 |
Ghosh A, Conradie J. The Valence States of Copernicium and Flerovium European Journal of Inorganic Chemistry. 2016: 2989-2992. DOI: 10.1002/Ejic.201600146 |
0.634 |
|
| 2016 |
Ghosh A, Conradie J. ChemInform Abstract: The Valence States of Copernicium and Flerovium. Cheminform. 47. DOI: 10.1002/CHIN.201638001 |
0.571 |
|
| 2015 |
Hopmann KH, Conradie J, Tangen E, Tonzetich ZJ, Lippard SJ, Ghosh A. Singlet-Triplet Gaps of Cobalt Nitrosyls: Insights from Tropocoronand Complexes. Inorganic Chemistry. 54: 7362-7. PMID 26203786 DOI: 10.1021/Acs.Inorgchem.5B00901 |
0.807 |
|
| 2015 |
van As A, Joubert CC, Buitendach BE, Erasmus E, Conradie J, Cammidge AN, Chambrier I, Cook MJ, Swarts JC. Tetrabenzoporphyrin and -mono-, -cis-di- and Tetrabenzotriazaporphyrin Derivatives: Electrochemical and Spectroscopic Implications of meso CH Group Replacement with Nitrogen. Inorganic Chemistry. 54: 5329-41. PMID 25970004 DOI: 10.1021/Acs.Inorgchem.5B00380 |
0.381 |
|
| 2015 |
Capar J, Conradie J, Beavers CM, Ghosh A. Molecular structures of free-base corroles: nonplanarity, chirality, and enantiomerization. The Journal of Physical Chemistry. A. 119: 3452-7. PMID 25819028 DOI: 10.1021/Jp511188C |
0.802 |
|
| 2015 |
Kuhn A, Conradie J. Observed hydrolysis of fluorine substituted bis(β-diketonato)-dichlorotitanium(IV) complexes. Dalton Transactions (Cambridge, England : 2003). 44: 5106-13. PMID 25670035 DOI: 10.1039/C4Dt02614D |
0.408 |
|
| 2015 |
Conradie J, Patra AK, Harrop TC, Ghosh A. Square-antiprismatic eight-coordinate complexes of divalent first-row transition metal cations: a density functional theory exploration of the electronic-structural landscape. Inorganic Chemistry. 54: 1375-83. PMID 25574575 DOI: 10.1021/Ic502287M |
0.714 |
|
| 2015 |
Conradie J. Density functional theory calculations of Rh-β-diketonato complexes. Dalton Transactions (Cambridge, England : 2003). 44: 1503-15. PMID 25429658 DOI: 10.1039/C4Dt02268H |
0.452 |
|
| 2015 |
Landman M, Fraser R, Twigge L, Conradie J. Fischer aminocarbene conformers containing a 2-thienyl or 2-furyl ring: a crystallographic, NMR, and DFT study Journal of Coordination Chemistry. 68: 2388-2408. DOI: 10.1080/00958972.2015.1046852 |
0.398 |
|
| 2015 |
Kuhn A, Conradie J. Structural investigation of trifuoromethyl substituted bis(β-diketonato)-dichlorotitanium(IV) complexes displaying a mono-dinuclear equilibrium hydrolysis reaction Journal of Molecular Structure. 1098: 267-276. DOI: 10.1016/J.Molstruc.2015.06.017 |
0.448 |
|
| 2015 |
Landman M, Conradie J. E versus Z isomers of Fischer aminocarbene complex [Mo(CO)4(PPh3){C(NHCy)(2-furyl)}]: NH⋯O versus CH⋯O intramolecular hydrogen bonds Journal of Molecular Structure. 1094: 36-45. DOI: 10.1016/J.Molstruc.2015.04.001 |
0.306 |
|
| 2015 |
Landman M, Levell TJ, Conradie MM, van Rooyen PH, Conradie J. Structural and conformational study of pentacarbonyl and phosphine substituted Fischer alkoxy- and aminocarbene complexes of molybdenum Journal of Molecular Structure. 1086: 190-200. DOI: 10.1016/J.Molstruc.2015.01.022 |
0.471 |
|
| 2015 |
Jansen van Rensburg A, Landman M, van der Westhuizen D, Conradie MM, Conradie J. Electrochemistry of Triphenylarsine-substituted Tungsten(0) Fischer carbene complexes Electrochimica Acta. 186: 321-327. DOI: 10.1016/J.Electacta.2015.11.001 |
0.386 |
|
| 2015 |
Liu R, Conradie J. Tris(β-diketonato)chromium(III) complexes: Effect of the β-diketonate ligand on the redox properties Electrochimica Acta. 185: 288-296. DOI: 10.1016/J.Electacta.2015.10.116 |
0.362 |
|
| 2015 |
Landman M, Levell TJ, Buitendach BE, Conradie MM, Conradie J. Effect of CO substitution on the redox properties of Fischer Mo(0) carbene complexes Mo(CO)5=C(Y)(2-Furyl), Y=OEt, NHCy or NH2 Electrochimica Acta. 174: 282-289. DOI: 10.1016/J.Electacta.2015.05.191 |
0.414 |
|
| 2015 |
Freitag R, Conradie J. Electrochemical and Computational Chemistry Study of Mn(β-diketonato)3 complexes Electrochimica Acta. 158: 418-426. DOI: 10.1016/J.Electacta.2015.01.147 |
0.407 |
|
| 2015 |
Conradie MM, Conradie J. Electrochemical behaviour of Tris(β-diketonato)iron(III) complexes: A DFT and experimental study Electrochimica Acta. 152: 512-519. DOI: 10.1016/J.Electacta.2014.11.128 |
0.415 |
|
| 2015 |
Conradie J, Berg S, Ghosh A. Mechanisms of Oxygen Atom Transfer between Main-Group Elements European Journal of Inorganic Chemistry. 2015: 4138-4144. DOI: 10.1002/Ejic.201500591 |
0.776 |
|
| 2014 |
Conradie J, Ghosh A. Stereochemical diversity of {MNO}(10) complexes: molecular orbital analyses of nickel and copper nitrosyls. Inorganic Chemistry. 53: 4847-55. PMID 24796643 DOI: 10.1021/Ic4028157 |
0.693 |
|
| 2014 |
Albrett AM, Thomas KE, Maslek S, M?odzianowska A, Conradie J, Beavers CM, Ghosh A, Brothers PJ. Mono- and diboron corroles: factors controlling stoichiometry and hydrolytic reactivity. Inorganic Chemistry. 53: 5486-93. PMID 24684580 DOI: 10.1021/Ic500114K |
0.765 |
|
| 2014 |
von Eschwege KG, Bosman G, Conradie J, Schwoerer H. Femtosecond laser spectroscopy and DFT studies of photochromic dithizonatomercury complexes. The Journal of Physical Chemistry. A. 118: 844-55. PMID 24422764 DOI: 10.1021/Jp410186Y |
0.389 |
|
| 2014 |
Conradie MM, Conradie J, Erasmus E. Immobilisation of iron tris(β-diketonates) on a two-dimensional flat amine functionalised silicon wafer: A catalytic study of the formation of urethane, from ethanol and a diisocyanate derivative Polyhedron. 79: 52-59. DOI: 10.1016/J.Poly.2014.04.054 |
0.338 |
|
| 2014 |
Hopmann KH, Kuhn A, Conradie J. Substitution reactions of dichlorobis(betadiketonato-O,O′)titanium(IV) complexes with aryl diolato ligands: An experimental and computational study Polyhedron. 67: 231-241. DOI: 10.1016/J.Poly.2013.09.004 |
0.711 |
|
| 2014 |
Landman M, Levell TJ, Rooyen PHV, Conradie J. Conformation analysis of triphenylphosphine in trans and cis triphenylphosphine-substituted Fischer carbene complexes Journal of Molecular Structure. 1065: 29-38. DOI: 10.1016/J.Molstruc.2014.02.014 |
0.368 |
|
| 2014 |
Landman M, Liu R, Fraser R, van Rooyen PH, Conradie J. Fac and mer dppe-substituted Fischer carbene complexes of chromium: X-ray, DFT and electrochemical study Journal of Organometallic Chemistry. 752: 171-182. DOI: 10.1016/J.Jorganchem.2013.12.003 |
0.304 |
|
| 2014 |
Landman M, Pretorius R, Fraser R, Buitendach BE, Conradie MM, van Rooyen PH, Conradie J. Electrochemical behaviour and structure of novel phosphine- and phosphite-substituted tungsten(0) Fischer carbene complexes Electrochimica Acta. 130: 104-118. DOI: 10.1016/J.Electacta.2014.02.127 |
0.381 |
|
| 2014 |
Freitag R, Muller TJ, Conradie J. X-Ray Diffraction and DFT Calculation Elucidation of the Jahn–Teller Effect Observed in Mn(dibenzoylmethanato)3 Journal of Chemical Crystallography. 44: 352-359. DOI: 10.1007/S10870-014-0522-6 |
0.35 |
|
| 2014 |
Ghosh A, Conradie J. Pentafluorosulfanyltrimethylsilane: A Nonexistent Molecule? European Journal of Inorganic Chemistry. 2015: 207-209. DOI: 10.1002/Ejic.201402928 |
0.659 |
|
| 2013 |
Erasmus JJ, Conradie J. Chemical and electrochemical oxidation of [Rh(β-diketonato)(CO)(P(OCH2)3CCH3)]: an experimental and DFT study. Dalton Transactions (Cambridge, England : 2003). 42: 8655-66. PMID 23632432 DOI: 10.1039/C3Dt50310K |
0.37 |
|
| 2013 |
Landman M, Pretorius R, Buitendach BE, van Rooyen PH, Conradie J. Synthesis, Structure, and Electrochemistry of Fischer Alkoxy- and Aminocarbene Complexes of Tungsten: The Use of DFT To Predict and Understand Oxidation and Reduction Potentials Organometallics. 32: 5491-5503. DOI: 10.1021/Om400778Z |
0.462 |
|
| 2013 |
Freitag R, Conradie J. Understanding the Jahn–Teller Effect in Octahedral Transition-Metal Complexes: A Molecular Orbital View of the Mn(β-diketonato)3 Complex Journal of Chemical Education. 90: 1692-1696. DOI: 10.1021/Ed400370P |
0.409 |
|
| 2013 |
Conradie J. A DFT study of the reactivity of β-diketonato-1,5-cyclo-octadieneiridium(I) complexes Polyhedron. 51: 164-167. DOI: 10.1016/J.Poly.2012.12.024 |
0.418 |
|
| 2013 |
Conradie MM, van Rooyen PH, Conradie J. Crystal and electronic structures of tris[4,4,4-Trifluoro-1-(2-X)-1,3-butanedionato]iron(III) isomers (X=thienyl or furyl): An X-ray and computational study Journal of Molecular Structure. 1053: 134-140. DOI: 10.1016/J.Molstruc.2013.09.014 |
0.308 |
|
| 2013 |
Conradie MM, Conradie J. Solid state packing of [Rh(β-diketonato)(CO)2] complexes. Crystal structure of [Rh(PhCOCHCOC4H3S)(CO)2] Journal of Molecular Structure. 1051: 137-143. DOI: 10.1016/J.Molstruc.2013.07.046 |
0.384 |
|
| 2013 |
Purcell W, Conradie J, Chiweshe TT, Venter JA, Visser HG, Coetzee MP. Characterization of acetylacetonato carbonyl diphenyl-2-pyridylphosphine rhodium(I): Comparison with other carbonyl complexes Journal of Molecular Structure. 1038: 220-229. DOI: 10.1016/J.Molstruc.2013.01.061 |
0.451 |
|
| 2013 |
Purcell W, Conradie J, Chiweshe TT, Venter JA, Twigge L, Coetzee MP. Characterization and oxidative addition reactions of rhodium(I) carbonyl cupferrate diphenyl-2-pyridylphoshine complexes Journal of Organometallic Chemistry. 745: 439-453. DOI: 10.1016/J.Jorganchem.2013.08.037 |
0.34 |
|
| 2013 |
Conradie J. P(OPh)3 substitution at [Rh(β-diketonato)(cod)] complexes: The relationship between kinetics and frontier orbitals Inorganica Chimica Acta. 406: 211-216. DOI: 10.1016/J.Ica.2013.04.032 |
0.331 |
|
| 2013 |
Stuurman NF, Muller A, Conradie J. Conformational analysis of triphenylphosphine in square planar [Rh(β-diketonato)(CO)(PPh3)] complexes. Crystal structure of [Rh(PhCOCHCO(CH2)3CH3)(CO)(PPh3)] Inorganica Chimica Acta. 395: 237-244. DOI: 10.1016/J.Ica.2012.11.001 |
0.408 |
|
| 2013 |
Landman M, Liu R, van Rooyen PH, Conradie J. Electrochemistry of Fischer alkoxycarbene complexes of chromium: The use of density functional theory to predict and understand oxidation and reduction potentials Electrochimica Acta. 114: 205-214. DOI: 10.1016/J.Electacta.2013.10.013 |
0.395 |
|
| 2013 |
Ferreira H, Conradie MM, Conradie J. Electrochemical study of carbonyl phosphine β-diketonato rhodium(I) complexes Electrochimica Acta. 113: 519-526. DOI: 10.1016/J.Electacta.2013.09.099 |
0.384 |
|
| 2013 |
Conradie J. Oxidation potential of [Rh(β-diketonato)(P(OPh)3)2] complexes—Relationships with experimental, electronic and calculated parameters Electrochimica Acta. 110: 718-725. DOI: 10.1016/J.Electacta.2013.01.021 |
0.353 |
|
| 2013 |
Stuurman NF, Muller A, Conradie J. Structural trends in [Rh(PhCOCHCO(CH2)nCH3)(CO)(PPh3)] (n = 0–3) and related complexes: crystal structure of [Rh(PhCOCHCO(CH2)2CH3)(CO)(PPh3)] Transition Metal Chemistry. 38: 429-440. DOI: 10.1007/S11243-013-9708-6 |
0.376 |
|
| 2013 |
Kuo CM, Bezuidenhoudt BCB, Conradie J. Determination of the relationship between theoretical vibrational frequencies and experimental IR absorbance bands in organic molecules: Computational study of oxane, chromane and flavan Journal of Physical Organic Chemistry. 26: 327-334. DOI: 10.1002/Poc.3092 |
0.301 |
|
| 2012 |
Conradie J. Conformational analysis of triphenylphosphine in square planar organometallic complexes: [(PPh3)(ML1L2L3)] and [M(acac)(L')(PPh3)]. Dalton Transactions (Cambridge, England : 2003). 41: 10633-42. PMID 22836281 DOI: 10.1039/C2Dt30850A |
0.402 |
|
| 2012 |
Thomas KE, Alemayehu AB, Conradie J, Beavers CM, Ghosh A. The structural chemistry of metallocorroles: combined X-ray crystallography and quantum chemistry studies afford unique insights. Accounts of Chemical Research. 45: 1203-14. PMID 22444488 DOI: 10.1021/Ar200292D |
0.821 |
|
| 2012 |
Zhao H, Pierloot K, Langner EH, Swarts JC, Conradie J, Ghosh A. Low-energy states of manganese-oxo corrole and corrolazine: multiconfiguration reference ab initio calculations. Inorganic Chemistry. 51: 4002-6. PMID 22432719 DOI: 10.1021/Ic201972F |
0.673 |
|
| 2012 |
Erasmus J, Conradie J. Oxidative addition of methyl iodide to [Rh(PhCOCHCOPh)(CO)(P(OCH2)3CCH3)]: an experimental and computational study Open Chemistry. 10: 256-266. DOI: 10.2478/S11532-011-0137-0 |
0.336 |
|
| 2012 |
Patra AK, Dube KS, Sanders BC, Papaefthymiou GC, Conradie J, Ghosh A, Harrop TC. A thermally stable {FeNO} 8 complex: Properties and biological reactivity of reduced MNO systems Chemical Science. 3: 364-369. DOI: 10.1039/C1Sc00582K |
0.687 |
|
| 2012 |
Muller TJ, Conradie J, Erasmus E. A spectroscopic, electrochemical and DFT study of para-substituted ferrocene-containing chalcone derivatives: Structure of FcCOCHCH(p- tBuC6H4) Polyhedron. 33: 257-266. DOI: 10.1016/J.Poly.2011.11.034 |
0.342 |
|
| 2012 |
Conradie J. Reactivity of [Rh(β-diketonato)(cod)] complexes: A DFT approach Journal of Organometallic Chemistry. 719: 8-13. DOI: 10.1016/J.Jorganchem.2012.08.015 |
0.431 |
|
| 2012 |
Conradie J. Prediction of chemical and electrochemical oxidation potentials of β-diketonatobis(triphenylphosphite)rhodium(I) complexes: A DFT study Inorganica Chimica Acta. 392: 30-37. DOI: 10.1016/J.Ica.2012.06.033 |
0.376 |
|
| 2011 |
Thomas KE, Alemayehu AB, Conradie J, Beavers C, Ghosh A. Synthesis and molecular structure of gold triarylcorroles. Inorganic Chemistry. 50: 12844-51. PMID 22111600 DOI: 10.1021/Ic202023R |
0.809 |
|
| 2011 |
von Eschwege KG, Conradie J, Kuhn A. Dithizone and its oxidation products: a DFT, spectroscopic, and X-ray structural study. The Journal of Physical Chemistry. A. 115: 14637-46. PMID 22103321 DOI: 10.1021/Jp208212E |
0.379 |
|
| 2011 |
Schwoerer H, von Eschwege KG, Bosman G, Krok P, Conradie J. Ultrafast photochemistry of dithizonatophenylmercury(II). Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 12: 2653-8. PMID 21882332 DOI: 10.1002/Cphc.201100337 |
0.323 |
|
| 2011 |
Conradie MM, Conradie J. Methyl iodide oxidative addition to [Rh(acac)(CO)(PPh3)]: an experimental and theoretical study of the stereochemistry of the products and the reaction mechanism. Dalton Transactions (Cambridge, England : 2003). 40: 8226-37. PMID 21761056 DOI: 10.1039/C1Dt10271K |
0.365 |
|
| 2011 |
Conradie J, Ghosh A. Correlation between the FeNO angle and d-p mixing in {FeNO}7 complexes. Inorganic Chemistry. 50: 4223-5. PMID 21491891 DOI: 10.1021/Ic102388C |
0.7 |
|
| 2011 |
Conradie J, Swarts JC. Relationship between electrochemical potentials and substitution reaction rates of ferrocene-containing β-diketonato rhodium(I) complexes; cytotoxicity of [Rh(FcCOCHCOPh)(cod)]. Dalton Transactions (Cambridge, England : 2003). 40: 5844-51. PMID 21423964 DOI: 10.1039/C1Dt00013F |
0.302 |
|
| 2011 |
Thomas KE, Conradie J, Hansen LK, Ghosh A. Corroles cannot ruffle. Inorganic Chemistry. 50: 3247-51. PMID 21366225 DOI: 10.1021/Ic1017032 |
0.751 |
|
| 2011 |
Conradie MM, Conradie J, Ghosh A. Capturing the spin state diversity of iron(III)-aryl porphyrins: OLYP is better than TPSSh. Journal of Inorganic Biochemistry. 105: 84-91. PMID 21134606 DOI: 10.1016/J.Jinorgbio.2010.09.010 |
0.662 |
|
| 2011 |
Johansen I, Norheim H, Larsen S, Alemayehu AB, Conradie J, Ghosh A. Substituent effects on metallocorrole spectra: insights from chromium-oxo and molybdenum-oxo triarylcorroles Journal of Porphyrins and Phthalocyanines. 15: 1335-1344. DOI: 10.1142/S1088424611004270 |
0.779 |
|
| 2011 |
Conradie MM, Erasmus JJ, Conradie J. Iodomethane oxidative addition to β-diketonatobis(triphenylphosphite)rhodium(I) complexes: A synthetic, kinetic and computational study Polyhedron. 30: 2345-2353. DOI: 10.1016/J.Poly.2011.06.017 |
0.323 |
|
| 2011 |
Stuurman NF, Meijboom R, Conradie J. Characterization of [Rh(PhCOCHCOCH2CH2CH3)(CO)2] by X-ray crystallography, a computational and a statistical study Polyhedron. 30: 660-665. DOI: 10.1016/J.Poly.2010.11.038 |
0.362 |
|
| 2011 |
Erasmus JJ, Conradie J. Electrochemical study of β-diketonatobis(triphenylphosphite)rhodium(I) complexes Electrochimica Acta. 56: 9287-9294. DOI: 10.1016/J.Electacta.2011.08.001 |
0.334 |
|
| 2011 |
Kuhn A, von Eschwege KG, Conradie J. Electrochemical and density functional theory modeled reduction of enolized 1,3-diketones Electrochimica Acta. 56: 6211-6218. DOI: 10.1016/J.Electacta.2011.03.083 |
0.36 |
|
| 2011 |
Erasmus JJC, Conradie MM, Conradie J. Kinetics and mechanism of the oxidative addition of methyl iodide to [Rh(CH3COCHCOCF3)(CO)(P(OCH2)3CCH3)]: an experimental and computational study Reaction Kinetics, Mechanisms and Catalysis. 105: 233-247. DOI: 10.1007/S11144-011-0413-1 |
0.324 |
|
| 2011 |
Kuhn A, von Eschwege KG, Conradie J. Reduction potentials of para
-substituted nitrobenzenes-an infrared, nuclear magnetic resonance, and density functional theory study Journal of Physical Organic Chemistry. 25: 58-68. DOI: 10.1002/Poc.1868 |
0.341 |
|
| 2011 |
Thomas KE, Conradie J, Hansen LK, Ghosh A. A Metallocorrole with Orthogonal Pyrrole Rings (Eur. J. Inorg. Chem. 12/2011) European Journal of Inorganic Chemistry. 2011: n/a-n/a. DOI: 10.1002/Ejic.201190033 |
0.73 |
|
| 2011 |
Thomas KE, Conradie J, Hansen LK, Ghosh A. A metallocorrole with orthogonal pyrrole rings European Journal of Inorganic Chemistry. 1865-1870. DOI: 10.1002/Ejic.201100170 |
0.755 |
|
| 2011 |
Conradie J, Swarts JC. The Relationship between the Electrochemical and Chemical Oxidation of Ferrocene-Containing Carbonyl-Phosphane-β-Diketonato-Rhodium(I) Complexes - Cytotoxicity of [Rh(FcCOCHCOPh)(CO)(PPh3)] European Journal of Inorganic Chemistry. 2011: 2439-2449. DOI: 10.1002/Ejic.201100007 |
0.411 |
|
| 2011 |
Alemayehu A, Conradie J, Ghosh A. A First TDDFT Study of Metallocorrole Electronic Spectra: Copper meso-Triarylcorroles Exhibit Hyper Spectra European Journal of Inorganic Chemistry. 2011: 1857-1864. DOI: 10.1002/Ejic.201001026 |
0.809 |
|
| 2010 |
Conradie J, Hopmann KH, Ghosh A. Understanding the unusually straight: a search for MO insights into linear {FeNO}(7) units. The Journal of Physical Chemistry. B. 114: 8517-24. PMID 20536203 DOI: 10.1021/Jp101847Y |
0.795 |
|
| 2010 |
Tangen E, Conradie J, Franz K, Friedle S, Telser J, Lippard SJ, Ghosh A. Electronic structure of a paramagnetic {MNO}6 complex: MnNO 5,5-tropocoronand Inorganic Chemistry. 49: 2701-2705. PMID 20166686 DOI: 10.1021/Ic901860X |
0.816 |
|
| 2010 |
Patra AK, Dube KS, Papaefthymiou GC, Conradie J, Ghosh A, Harrop TC. Stable eight-coordinate iron(III/II) complexes. Inorganic Chemistry. 49: 2032-4. PMID 20108928 DOI: 10.1021/Ic1001336 |
0.682 |
|
| 2010 |
Conradie J, Ghosh A. Electronic structure of an iron-porphyrin-nitrene complex. Inorganic Chemistry. 49: 243-8. PMID 19994873 DOI: 10.1021/Ic901897W |
0.697 |
|
| 2010 |
Capar C, Hansen L, Conradie J, Ghosh A. β-octabromo-meso-tris(pentafluorophenyl)corrole: reductive demetalation-based synthesis of a heretofore inaccessible, perhalogenated free-base corrole Journal of Porphyrins and Phthalocyanines. 14: 509-512. DOI: 10.1142/S1088424610002331 |
0.691 |
|
| 2010 |
Hopmann KH, Stuurman NF, Muller A, Conradie J. Substitution and Isomerization of Asymmetric β-Diketonato Rhodium(I) Complexes: A Crystallographic and Computational Study Organometallics. 29: 2446-2458. DOI: 10.1021/Om1000138 |
0.679 |
|
| 2010 |
Conradie MM, Conradie J. A density functional theory study of the oxidative addition of methyl iodide to square planar [Rh(acac)(P(OPh)3)2] complex and simplified model systems Journal of Organometallic Chemistry. 695: 2126-2133. DOI: 10.1016/J.Jorganchem.2010.05.021 |
0.384 |
|
| 2010 |
Kuhn A, Conradie J. Electrochemical and density functional theory study of bis(cyclopentadienyl) mono(β-diketonato) titanium(IV) cationic complexes Electrochimica Acta. 56: 257-264. DOI: 10.1016/J.Electacta.2010.08.086 |
0.413 |
|
| 2009 |
Hopmann KH, Conradie J, Ghosh A. Broken-symmetry DFT spin densities of iron nitrosyls, including Roussin's red and black salts: striking differences between pure and hybrid functionals. The Journal of Physical Chemistry. B. 113: 10540-7. PMID 19719290 DOI: 10.1021/Jp904135H |
0.766 |
|
| 2009 |
Goetz BI, Wang P, Shields HW, Basu S, Grubina R, Huang J, Conradie J, Huang Z, Jeffers A, Jiang A, He X, Azarov I, Seibert R, Mehta A, Patel R, et al. Reply to 'Nitrite-methemoglobin inadequate for hypoxic vasodilation' Nature Chemical Biology. 5: 367. DOI: 10.1038/Nchembio0609-367 |
0.559 |
|
| 2009 |
Hopmann KH, Conradie J. Density Functional Theory Study of Substitution at the Square-Planar Acetylacetonato-dicarbonyl-rhodium(I) Complex Organometallics. 28: 3710-3715. DOI: 10.1021/Om900133S |
0.694 |
|
| 2009 |
Conradie J, Swarts JC. Oxidative Addition of CH3I and CO Migratory Insertion in a Series of Ferrocene-Containing Carbonyl Phosphine β-Diketonato Rhodium(I) Complexes Organometallics. 28: 1018-1026. DOI: 10.1021/Om800655J |
0.34 |
|
| 2009 |
Conradie J. A computational study and fragment analysis of the back-bonding in Titanocenyl Complexes containing a five-member L,L′-cyclic ligand, L,L′=O,O′; S,S′ or Se,Se′ Journal of Molecular Structure: Theochem. 915: 51-57. DOI: 10.1016/J.Theochem.2009.08.014 |
0.34 |
|
| 2009 |
Kuhn A, Muller A, Conradie J. Syntheses, crystal structure and theoretical modelling of tetrahedral mono-β-diketonato titanocenyl complexes Polyhedron. 28: 966-974. DOI: 10.1016/J.Poly.2008.12.060 |
0.413 |
|
| 2009 |
Tsotetsi TA, Kuhn A, Muller A, Conradie J. Substitution kinetics of biphenol at dichlorobis(acetylacetonato-O,O′)titanium(IV): Isolation, characterization, crystal structure and enhanced hydrolytic stability of the product bis(acetylacetonato-O,O′)(biphenyldiolato-O,O′)titanium(IV) Polyhedron. 28: 209-214. DOI: 10.1016/J.Poly.2008.10.025 |
0.325 |
|
| 2009 |
Grobbelaar E, Lötter S, Visser HG, Conradie J, Purcell W. Investigation of the electron density of iridium(I) Vaska-type complexes using DFT calculations and structural results: Structure of trans-carbonyl-chloro-bis(tricyclohexylphosphine)-iridium(I) Inorganica Chimica Acta. 362: 3949-3954. DOI: 10.1016/J.Ica.2009.05.022 |
0.45 |
|
| 2009 |
Kuhn A, Tsotetsi TA, Muller A, Conradie J. Isomer distribution and structure of (2,2′-biphenyldiolato)bis(β-diketonato)titanium(IV) complexes: A single crystal X-ray, solution NMR and computational study Inorganica Chimica Acta. 362: 3088-3096. DOI: 10.1016/J.Ica.2009.02.006 |
0.397 |
|
| 2009 |
Conradie MM, Conradie J. Stereochemistry of the reaction products of the oxidative addition reaction of methyl iodide to [Rh((C4H3S)COCHCOR)(CO)(PPh3)]: A NMR and computational study. R=CF3, C6H5, C4H3S Inorganica Chimica Acta. 362: 519-530. DOI: 10.1016/J.Ica.2008.04.046 |
0.325 |
|
| 2009 |
Conradie J. Bonding in titanocenyl complexes containing O,O′-cyclic ligands International Journal of Quantum Chemistry. 110: 1100-1107. DOI: 10.1002/Qua.22142 |
0.375 |
|
| 2008 |
Conradie J, Ghosh A. Bonding in Low-Coordinate Environments: Electronic Structure of Distorted Square-Planar Iron-Imido Complexes With Pincer-Type Ligands. Journal of Chemical Theory and Computation. 4: 1576-84. PMID 26620163 DOI: 10.1021/Ct800118C |
0.71 |
|
| 2008 |
Roos BO, Veryazov V, Conradie J, Taylor PR, Ghosh A. Not innocent: verdict from ab initio multiconfigurational second-order perturbation theory on the electronic structure of chloroiron corrole. The Journal of Physical Chemistry. B. 112: 14099-102. PMID 18950087 DOI: 10.1021/Jp807734X |
0.701 |
|
| 2008 |
Albrett AM, Conradie J, Ghosh A, Brothers PJ. DFT survey of monoboron and diboron corroles: regio- and stereochemical preferences for a constrained, low-symmetry macrocycle. Dalton Transactions (Cambridge, England : 2003). 4464-73. PMID 18698450 DOI: 10.1039/B718755F |
0.706 |
|
| 2008 |
Albrett AM, Conradie J, Boyd PD, Clark GR, Ghosh A, Brothers PJ. Corrole as a binucleating ligand: preparation, molecular structure and density functional theory study of diboron corroles. Journal of the American Chemical Society. 130: 2888-9. PMID 18278914 DOI: 10.1021/Ja077785U |
0.7 |
|
| 2008 |
von Eschwege KG, Conradie J, Swarts JC. A DFT perspective on the structures and electronic spectra of the orange and blue isomers of photochromic dithizonatophenylmercury(II). The Journal of Physical Chemistry. A. 112: 2211-8. PMID 18275168 DOI: 10.1021/Jp076924R |
0.44 |
|
| 2008 |
Conradie J, Wondimagegn T, Ghosh A. Spin states at a tipping point: what determines the dz2(1) ground state of nickel(III) tetra(tbutyl)porphyrin dicyanide? The Journal of Physical Chemistry. B. 112: 1053-6. PMID 18177034 DOI: 10.1021/Jp709980Y |
0.804 |
|
| 2008 |
Conradie MM, Conradie J. Methyl iodide oxidative addition to monocarbonylphosphine [Rh((C4H3S)COCHCOR)(CO)(PPh3)] complexes utilizing UV/vis and IR spectrophotometry and NMR spectroscopy to identify reaction intermediates: R=C6H5 or C4H3S Inorganica Chimica Acta. 361: 2285-2295. DOI: 10.1016/J.Ica.2007.10.052 |
0.333 |
|
| 2008 |
Conradie MM, Conradie J. A kinetic study of the oxidative addition of methyl iodide to [Rh((C4H3S)COCHCOCF3)(CO)(PPh3)] utilizing UV/vis and IR spectrophotometry and 1H, 19F and 31P NMR spectroscopy. Synthesis of [Rh((C4H3S)COCHCOCF3)(CO)(PPh3)(CH3)(I)] Inorganica Chimica Acta. 361: 208-218. DOI: 10.1016/J.Ica.2007.07.010 |
0.314 |
|
| 2007 |
Tangen E, Conradie J, Ghosh A. Bonding in Low-Coordinate Environments: Electronic Structure of Pseudotetrahedral Iron-Imido Complexes. Journal of Chemical Theory and Computation. 3: 448-57. PMID 26637027 DOI: 10.1021/Ct600318N |
0.83 |
|
| 2007 |
Conradie J, Ghosh A. Electronic Structure of Trigonal-Planar Transition-Metal-Imido Complexes: Spin-State Energetics, Spin-Density Profiles, and the Remarkable Performance of the OLYP Functional. Journal of Chemical Theory and Computation. 3: 689-702. PMID 26627386 DOI: 10.1021/Ct600337J |
0.712 |
|
| 2007 |
Basu S, Grubina R, Huang J, Conradie J, Huang Z, Jeffers A, Jiang A, He X, Azarov I, Seibert R, Mehta A, Patel R, King SB, Hogg N, Ghosh A, et al. Catalytic generation of N2O3 by the concerted nitrite reductase and anhydrase activity of hemoglobin. Nature Chemical Biology. 3: 785-94. PMID 17982448 DOI: 10.1038/Nchembio.2007.46 |
0.622 |
|
| 2007 |
Conradie J, Ghosh A. DFT calculations on the spin-crossover complex Fe(salen)(NO): a quest for the best functional. The Journal of Physical Chemistry. B. 111: 12621-4. PMID 17935317 DOI: 10.1021/Jp074480T |
0.678 |
|
| 2007 |
Conradie J, Quarless DA, Hsu HF, Harrop TC, Lippard SJ, Koch SA, Ghosh A. Electronic structure and FeNO conformation of nonheme iron-thiolate-NO complexes: an experimental and DFT study. Journal of the American Chemical Society. 129: 10446-56. PMID 17685516 DOI: 10.1021/Ja0719982 |
0.693 |
|
| 2007 |
Conradie J, Lamprecht GJ, Roodt A, Swarts JC. Kinetic study of the oxidative addition reaction between methyl iodide and [Rh(FcCOCHCOCF3)(CO)(PPh3)]: Structure of [Rh(FcCOCHCOCF3)(CO)(PPh3)(CH3)(I)] Polyhedron. 26: 5075-5087. DOI: 10.1016/J.Poly.2007.07.004 |
0.305 |
|
| 2007 |
Erasmus E, Conradie J, Muller A, Swarts JC. Synthesis, crystal structure and electrochemistry of tetrahedral mono-β-diketonato titanocenyl complexes Inorganica Chimica Acta. 360: 2277-2283. DOI: 10.1016/J.Ica.2006.11.010 |
0.382 |
|
| 2006 |
Conradie J, Ghosh A. When being straight bends rules: a rationale for the linear FeNO unit in the low-spin square-pyramidal {FeNO}7 tetracyanonitrosylferrate(2-) anion. Journal of Inorganic Biochemistry. 100: 2069-73. PMID 17081612 DOI: 10.1016/J.Jinorgbio.2006.09.016 |
0.684 |
|
| 2006 |
Conradie J, Ghosh A. Iron(III)-nitro porphyrins: theoretical exploration of a unique class of reactive molecules. Inorganic Chemistry. 45: 4902-9. PMID 16780310 DOI: 10.1021/Ic060362T |
0.641 |
|
| 2006 |
Conradie J, Tangen E, Ghosh A. Trigonal bipyramidal iron(III) and manganese(III) oxo, sulfido, and selenido complexes. An electronic-structural overview. Journal of Inorganic Biochemistry. 100: 707-15. PMID 16510188 DOI: 10.1016/J.Jinorgbio.2006.01.029 |
0.817 |
|
| 2006 |
Conradie J, Wasbotten I, Ghosh A. Electronic ménages a trois: a molecular orbital perspective of protonated ferryl intermediates and synthetic models. Journal of Inorganic Biochemistry. 100: 502-6. PMID 16504302 DOI: 10.1016/J.Jinorgbio.2006.01.027 |
0.802 |
|
| 2006 |
Conradie MM, Conradie J, Ghosh A. A DFT overview of high-valent iron, cobalt and nickel tetraamidomacrocyclic ligand (TAML) complexes: the end of innocence? Journal of Inorganic Biochemistry. 100: 620-6. PMID 16504297 DOI: 10.1016/J.Jinorgbio.2006.01.028 |
0.68 |
|
| 2005 |
Tangen E, Conradie J, Ghosh A. The challenge of being straight: explaining the linearity of a low-spin [FeNO]7 unit in a tropocoronand complex. Inorganic Chemistry. 44: 8699-706. PMID 16296823 DOI: 10.1021/Ic050781A |
0.809 |
|
| 2005 |
Tangen E, Conradie J, Svadberg A, Ghosh A. Understanding the unexpected linearity of the trans-{Mn(NO)2}8 unit in a phthalocyanine complex: some thoughts on dinitrosylheme intermediates in biology. Journal of Inorganic Biochemistry. 99: 55-9. PMID 15598491 DOI: 10.1016/J.Jinorgbio.2004.10.010 |
0.816 |
|
| 2005 |
Conradie J, Cameron TS, S. Aquino MA, Lamprecht GJ, Swarts JC. Synthetic, electrochemical and structural aspects of a series of ferrocene-containing dicarbonyl β-diketonato rhodium(I) complexes Inorganica Chimica Acta. 358: 2530-2542. DOI: 10.1016/J.Ica.2005.02.010 |
0.379 |
|
| 2004 |
Conradie J, Swarts JC, Ghosh A. Models of High-Valent Heme Protein Intermediates: A Quantum Chemical Study of Iron(IV) Porphyrins with Two Univalent Axial π-Bonding Ligands The Journal of Physical Chemistry B. 108: 452-456. DOI: 10.1021/Jp030817P |
0.692 |
|
| 2003 |
Conradie J, Wondimagegn T, Ghosh A. Molecular structure and conformation of dinitrosylheme. Journal of the American Chemical Society. 125: 4968-9. PMID 12708833 DOI: 10.1021/Ja021439P |
0.799 |
|
| 2003 |
Conradie J, Ghosh A. Do the One-Electron Oxidized Derivatives of Some Six-Coordinate Low-Spin Iron(III) Porphyrins Feature Strong Metal−Ligand Ferromagnetic Coupling? The Journal of Physical Chemistry B. 107: 6486-6490. DOI: 10.1021/Jp030354N |
0.692 |
|
| 2002 |
Conradie J, Lamprecht GJ, Otto S, Swarts JC. Synthesis and characterisation of ferrocene-containing β-diketonato complexes of rhodium(I) and rhodium(III) Inorganica Chimica Acta. 328: 191-203. DOI: 10.1016/S0020-1693(01)00731-9 |
0.351 |
|
| 1999 |
du Plessis W(, Erasmus JJ, Lamprecht GJ, Conradie J, Cameron TS, Aquino MA, Swarts JC. Cyclic voltammetry of ferrocene-containing β-diketones as a tool to obtain group electronegativities. The structure of 3-ferrocenoyl-1,1,1-trifluoro-2-hydroxyprop-2-ene Canadian Journal of Chemistry. 77: 378-386. DOI: 10.1139/V99-015 |
0.301 |
|
| 1993 |
Lamprecht GJ, Swarts JC, Conradie J, Leipoldt JG. Structure of carbonyl[(ferrocenecarbonyl)trifluoroacetonato-κO,κO]triphenylphosphinerhodium(I) Acta Crystallographica Section C Crystal Structure Communications. 49: 82-84. DOI: 10.1107/S0108270192002506 |
0.341 |
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