| Cholesky Decomposition-Based Multiconfiguration Second-Order Perturbation Theory (CD-CASPT2): Application to the Spin-State Energetics of CoIII(diiminato … F Aquilante, PÅ Malmqvist, TB Pedersen, A Ghosh, BO Roos Journal of chemical theory and computation 4 (5), 694-702, 2008 | 404 | 2008 |
| Electronic structure of corrole derivatives: insights from molecular structures, spectroscopy, electrochemistry, and quantum chemical calculations A Ghosh Chemical Reviews 117 (4), 3798-3881, 2017 | 341 | 2017 |
| Electronic absorption, resonance Raman, and electrochemical studies of planar and saddled copper (III) meso-triarylcorroles. Highly substituent-sensitive Soret bands as a … IH Wasbotten, T Wondimagegn, A Ghosh Journal of the American Chemical Society 124 (27), 8104-8116, 2002 | 297 | 2002 |
| Catalytic generation of N2O3 by the concerted nitrite reductase and anhydrase activity of hemoglobin S Basu, R Grubina, J Huang, J Conradie, Z Huang, A Jeffers, A Jiang, ... Nature chemical biology 3 (12), 785-794, 2007 | 251 | 2007 |
| High-level ab initio calculations on the energetics of low-lying spin states of biologically relevant transition metal complexes: a first progress report A Ghosh, PR Taylor Current opinion in chemical biology 7 (1), 113-124, 2003 | 237 | 2003 |
| Electronic structure of gallium, copper, and nickel complexes of corrole. High-valent transition metal centers versus noninnocent ligands A Ghosh, T Wondimagegn, ABJ Parusel Journal of the American Chemical Society 122 (21), 5100-5104, 2000 | 237 | 2000 |
| First-principles quantum chemical studies of porphyrins A Ghosh Accounts of chemical research 31 (4), 189-198, 1998 | 220 | 1998 |
| DFT calculations on the spin-crossover complex Fe (salen)(NO): a quest for the best functional J Conradie, A Ghosh The Journal of Physical Chemistry B 111 (44), 12621-12624, 2007 | 211 | 2007 |
| Transition metal spin state energetics and noninnocent systems: challenges for DFT in the bioinorganic arena A Ghosh JBIC Journal of Biological Inorganic Chemistry 11, 712-724, 2006 | 206 | 2006 |
| Do nonplanar porphyrins have red-shifted electronic spectra? A DFT/SCI study and reinvestigation of a recent proposal ABJ Parusel, T Wondimagegn, A Ghosh Journal of the American Chemical Society 122 (27), 6371-6374, 2000 | 187 | 2000 |
| The structural chemistry of metallocorroles: combined X-ray crystallography and quantum chemistry studies afford unique insights KE Thomas, AB Alemayehu, J Conradie, CM Beavers, A Ghosh Accounts of chemical research 45 (8), 1203-1214, 2012 | 184 | 2012 |
| Electrochemical and electronic absorption spectroscopic studies of substituent effects in iron(IV) and manganese(IV) corroles. Do the compounds feature high-valent metal … E Steene, T Wondimagegn, A Ghosh The Journal of Physical Chemistry B 105 (46), 11406-11413, 2001 | 180 | 2001 |
| Electron correlation in tetrapyrroles: ab initio calculations on porphyrin and the tautomers of chlorin J Almlöf, TH Fischer, PG Gassman, A Ghosh, M Häser The Journal of Physical Chemistry 97 (42), 10964-10970, 1993 | 180 | 1993 |
| A Perspective of One‐Pot Pyrrole–Aldehyde Condensations as Versatile Self‐Assembly Processes A Ghosh Angewandte Chemie International Edition 43 (15), 1918-1931, 2004 | 165 | 2004 |
| Do nonplanar distortions of porphyrins bring about strongly red-shifted electronic spectra? Controversy, consensus, new developments, and relevance to chelatases H Ryeng, A Ghosh Journal of the American Chemical Society 124 (27), 8099-8103, 2002 | 163 | 2002 |
| Electronic effects of peripheral substituents in porphyrins: x-ray photoelectron spectroscopy and ab initio self-consistent field calculations PG Gassman, A Ghosh, J Almlof Journal of the American Chemical Society 114 (25), 9990-10000, 1992 | 155 | 1992 |
| Carbonyl tilting and bending potential energy surface of carbon monoxyhemes A Ghosh, DF Bocian The Journal of Physical Chemistry 100 (16), 6363-6367, 1996 | 153 | 1996 |
| β-Octafluorocorroles E Steene, A Dey, A Ghosh Journal of the American Chemical Society 125 (52), 16300-16309, 2003 | 151 | 2003 |
| Substituent effects on valence ionization potentials of free base porphyrins: A local density functional study A Ghosh Journal of the American Chemical Society 117 (16), 4691-4699, 1995 | 146 | 1995 |
| Synthesis, structure, electronic spectroscopy, photophysics, electrochemistry, and X-ray photoelectron spectroscopy of highly-electron-deficient [5, 10, 15, 20-tetrakis … JG Goll, KT Moore, A Ghosh, MJ Therien Journal of the American Chemical Society 118 (35), 8344-8354, 1996 | 144 | 1996 |
Jeanet ConradieUniversity of the Free State, South AfricaAdresse e-mail validée de ufs.ac.za