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Abhik Ghosh
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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
3442008
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
2792002
Electronic structure of corrole derivatives: insights from molecular structures, spectroscopy, electrochemistry, and quantum chemical calculations
A Ghosh
Chemical Reviews 117 (4), 3798-3881, 2017
2322017
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
2312007
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
2202003
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
2062000
First-principles quantum chemical studies of porphyrins
A Ghosh
Accounts of chemical research 31 (4), 189-198, 1998
2041998
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
1942007
Transition metal spin state energetics and noninnocent systems: challenges for DFT in the bioinorganic arena
A Ghosh
JBIC Journal of Biological Inorganic Chemistry 11 (6), 712-724, 2006
1902006
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
1822000
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
1821993
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
1742001
A Perspective of One‐Pot Pyrrole–Aldehyde Condensations as Versatile Self‐Assembly Processes
A Ghosh
Angewandte Chemie International Edition 43 (15), 1918-1931, 2004
1592004
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
1582012
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
1552002
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
1501992
Carbonyl tilting and bending potential energy surface of carbon monoxyhemes
A Ghosh, DF Bocian
The Journal of Physical Chemistry 100 (16), 6363-6367, 1996
1491996
β-Octafluorocorroles
E Steene, A Dey, A Ghosh
Journal of the American Chemical Society 125 (52), 16300-16309, 2003
1422003
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
1381996
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
1341995
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Articles 1–20