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Abhik Ghosh - Publications

Affiliations: 
1987-1994 Department of Chemistry University of Minnesota - Minneapolis 
 1995-1996 University of California, Berkeley, CA, United States 
 1996- Department of Chemistry UiT - The Arctic University of Norway 
Area:
Bioinorganic chemistry, materials chemistry, computational chemistry
Website:
https://en.uit.no/project/softmatter
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258 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
2023 Phung QM, Nam HN, Ghosh A. Local Oxidation States in {FeNO} Porphyrins: Insights from DMRG/CASSCF-CASPT2 Calculations. Inorganic Chemistry. PMID 38010736 DOI: 10.1021/acs.inorgchem.3c03689  0.314
2023 Johannessen KE, Johansen MAL, Einrem RF, McCormick McPherson LJ, Alemayehu AB, Borisov SM, Ghosh A. Influence of Fluorinated Substituents on the Near-Infrared Phosphorescence of 5d Metallocorroles. Acs Organic & Inorganic Au. 3: 241-245. PMID 37810408 DOI: 10.1021/acsorginorgau.3c00016  0.803
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  0.621
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  0.829
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  0.794
2023 Larsen S, Adewuyi JA, Ung G, Ghosh A. Transition-Metal Isocorroles as Singlet Oxygen Sensitizers. Inorganic Chemistry. 62: 7483-7490. PMID 37141580 DOI: 10.1021/acs.inorgchem.3c00782  0.682
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  0.617
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  0.681
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  0.624
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  0.599
2022 Ghosh A, Conradie J. Porphyryne. Acs Omega. 7: 40275-40278. PMID 36385855 DOI: 10.1021/acsomega.2c05199  0.626
2022 Alemayehu AB, Ghosh A. Phenol- and resorcinol-appended metallocorroles and their derivatization with fluorous tags. Scientific Reports. 12: 19256. PMID 36357501 DOI: 10.1038/s41598-022-23889-0  0.651
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  0.618
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  0.614
2022 Wamser CC, Ghosh A. The Hyperporphyrin Concept: A Contemporary Perspective. Jacs Au. 2: 1543-1560. PMID 35911463 DOI: 10.1021/jacsau.2c00255  0.644
2022 Terner J, Thomas KE, Vazquez-Lima H, Ghosh A. Structure-sensitive marker bands of metallocorroles: A resonance Raman study of manganese and gold corrole derivatives. Journal of Inorganic Biochemistry. 231: 111783. PMID 35287036 DOI: 10.1016/j.jinorgbio.2022.111783  0.773
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  0.819
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  0.805
2021 Matson BD, Thomas KE, Alemayehu AB, Ghosh A, Sarangi R. Correction: X-ray absorption spectroscopy of exemplary platinum porphyrin and corrole derivatives: metal- ligand-centered oxidation. Rsc Advances. 11: 33300. PMID 35503532 DOI: 10.1039/d1ra90156g  0.81
2021 Einrem RF, Jonsson ET, Teat SJ, Settineri NS, Alemayehu AB, Ghosh A. Regioselective formylation of rhenium-oxo and gold corroles: substituent effects on optical spectra and redox potentials. Rsc Advances. 11: 34086-34094. PMID 35497316 DOI: 10.1039/d1ra05525a  0.777
2021 Matson BD, Thomas KE, Alemayehu AB, Ghosh A, Sarangi R. X-ray absorption spectroscopy of exemplary platinum porphyrin and corrole derivatives: metal- ligand-centered oxidation. Rsc Advances. 11: 32269-32274. PMID 35495496 DOI: 10.1039/d1ra06151h  0.815
2021 Phung QM, Muchammad Y, Yanai T, Ghosh A. A DMRG/CASPT2 Investigation of Metallocorroles: Quantifying Ligand Noninnocence in Archetypal 3d and 4d Element Derivatives. Jacs Au. 1: 2303-2314. PMID 34984418 DOI: 10.1021/jacsau.1c00417  0.319
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  0.654
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  0.759
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  0.816
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  0.804
2021 Alemayehu AB, Thomas KE, Einrem RF, Ghosh A. The Story of 5d Metallocorroles: From Metal-Ligand Misfits to New Building Blocks for Cancer Phototherapeutics. Accounts of Chemical Research. PMID 34297542 DOI: 10.1021/acs.accounts.1c00290  0.814
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  0.72
2021 Thomassen IK, Rasmussen D, Einrem RF, Ghosh A. Simple, Axial Ligand-Mediated Route to Water-Soluble Iridium Corroles. Acs Omega. 6: 16683-16687. PMID 34235340 DOI: 10.1021/acsomega.1c02399  0.793
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  0.807
2020 Cao R, Thomas KE, Ghosh A, Sarangi R. X-ray absorption spectroscopy of archetypal chromium porphyrin and corrole derivatives. Rsc Advances. 10: 20572-20578. PMID 35517776 DOI: 10.1039/d0ra02335c  0.735
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  0.793
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  0.619
2020 Alemayehu AB, Einrem RF, McCormick-McPherson LJ, Settineri NS, Ghosh A. Synthesis and molecular structure of perhalogenated rhenium-oxo corroles. Scientific Reports. 10: 19727. PMID 33184456 DOI: 10.1038/s41598-020-76308-7  0.795
2020 Pierloot K, Phung QM, Ghosh A. Electronic Structure of Neutral and Anionic Iron-Nitrosyl Corrole. A Multiconfigurational and Density Matrix Renormalization Group Investigation. Inorganic Chemistry. 59: 11493-11502. PMID 32799474 DOI: 10.1021/Acs.Inorgchem.0C01312  0.646
2020 Einrem RF, Alemayehu AB, Borisov SM, Ghosh A, Gederaas OA. Amphiphilic Rhenium-Oxo Corroles as a New Class of Sensitizers for Photodynamic Therapy. Acs Omega. 5: 10596-10601. PMID 32426618 DOI: 10.1021/acsomega.0c01090  0.771
2020 Thomas KE, Settineri NS, Teat SJ, Steene E, Ghosh A. Molecular Structure of Copper and μ-Oxodiiron Octafluorocorrole Derivatives: Insights into Ligand Noninnocence. Acs Omega. 5: 10176-10182. PMID 32391505 DOI: 10.1021/acsomega.0c01035  0.809
2020 Thomassen IK, McCormick-McPherson LJ, Borisov SM, Ghosh A. Iridium Corroles Exhibit Weak Near-Infrared Phosphorescence but Efficiently Sensitize Singlet Oxygen Formation. Scientific Reports. 10: 7551. PMID 32371925 DOI: 10.1038/S41598-020-64389-3  0.794
2020 Foroutan-Nejad C, Vícha J, Ghosh A. Relativity or aromaticity? A first-principles perspective of chemical shifts in osmabenzene and osmapentalene derivatives. Physical Chemistry Chemical Physics : Pccp. PMID 32369060 DOI: 10.1039/D0Cp01481H  0.327
2020 Thomassen IK, Ghosh A. Protonation-Induced Hyperporphyrin Spectra of -Aminophenylcorroles. Acs Omega. 5: 9023-9030. PMID 32337467 DOI: 10.1021/acsomega.0c01068  0.781
2020 Thomas KE, Slebodnick C, Ghosh A. Facile Supramolecular Engineering of Porphyrin cis Tautomers: The Case of β-Octabromo--tetraarylporphyrins. Acs Omega. 5: 8893-8901. PMID 32337452 DOI: 10.1021/acsomega.0c00517  0.591
2020 Alemayehu AB, Teat SJ, Borisov SM, Ghosh A. Rhenium-Imido Corroles. Inorganic Chemistry. PMID 32275406 DOI: 10.1021/Acs.Inorgchem.0C00477  0.803
2020 Reinholdt A, Alemayehu AB, Gagnon KJ, Bendix J, Ghosh A. Electrophilic Activation of Osmium-Nitrido Corroles: The OsN Triple Bond as a π-Acceptor Metallaligand in a Heterobimetallic OsN-Pt Complex. Inorganic Chemistry. PMID 32227864 DOI: 10.1021/Acs.Inorgchem.0C00654  0.811
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  0.797
2020 Rahman MH, Ryan MD, Vazquez-Lima H, Alemayehu A, Ghosh A. Infrared Spectroelectrochemistry of Iron-Nitrosyl Triarylcorroles. Implications for Ligand Noninnocence. Inorganic Chemistry. PMID 32053351 DOI: 10.1021/Acs.Inorgchem.9B03613  0.813
2020 Krzystek J, Schnegg A, Aliabadi A, Holldack K, Stoian SA, Ozarowski A, Hicks SD, Abu-Omar MM, Thomas KE, Ghosh A, Caulfield KP, Tonzetich ZJ, Telser J. Advanced Paramagnetic Resonance Studies on Manganese and Iron Corroles with a Formal d Electron Count. Inorganic Chemistry. PMID 31909979 DOI: 10.1021/Acs.Inorgchem.9B02635  0.78
2020 Cao R, Thomas KE, Ghosh A, Sarangi R. X-ray absorption spectroscopy of archetypal chromium porphyrin and corrole derivatives Rsc Advances. 10: 20572-20578. DOI: 10.1039/D0Ra02335C  0.728
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  0.755
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  0.797
2019 Alemayehu AB, Vazquez-Lima H, Teat SJ, Ghosh A. Unexpected Molecular Structure of a Putative Rhenium-Dioxo-Benzocarbaporphyrin Complex. Implications for the Highest Transition Metal Valence in a Porphyrin-Type Ligand Environment. Chemistryopen. 8: 1298-1302. PMID 31649839 DOI: 10.1002/Open.201900271  0.826
2019 Ganguly S, Ghosh A. Seven Clues to Ligand Noninnocence: The Metallocorrole Paradigm. Accounts of Chemical Research. PMID 31243969 DOI: 10.1021/Acs.Accounts.9B00115  0.684
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  0.697
2019 Lim H, Thomas KE, Hedman B, Hodgson KO, Ghosh A, Solomon EI. X-ray Absorption Spectroscopy as a Probe of Ligand Noninnocence in Metallocorroles: The Case of Copper Corroles. Inorganic Chemistry. PMID 31046257 DOI: 10.1021/Acs.Inorgchem.9B00128  0.595
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  0.698
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  0.654
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  0.801
2019 Larsen S, McCormick LJ, Ghosh A. Rapid one-pot synthesis of pyrrole-appended isocorroles. Organic & Biomolecular Chemistry. PMID 30838359 DOI: 10.1039/C9Ob00168A  0.817
2019 Borisov SM, Einrem RF, Alemayehu AB, Ghosh A. Ambient-temperature near-IR phosphorescence and potential applications of rhenium-oxo corroles. Photochemical & Photobiological Sciences : Official Journal of the European Photochemistry Association and the European Society For Photobiology. PMID 30801581 DOI: 10.1039/C8Pp00473K  0.804
2019 Alemayehu AB, McCormick LJ, Vazquez-Lima H, Ghosh A. Relativistic Effects on a Metal-Metal Bond: Osmium Corrole Dimers. Inorganic Chemistry. PMID 30730723 DOI: 10.1021/Acs.Inorgchem.8B03391  0.835
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  0.75
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 Alemayehu AB, McCormick LJ, Gagnon KJ, Borisov SM, Ghosh A. Stable Platinum(IV) Corroles: Synthesis, Molecular Structure, and Room-Temperature Near-IR Phosphorescence. Acs Omega. 3: 9360-9368. PMID 31459069 DOI: 10.1021/acsomega.8b01149  0.812
2018 Thomassen IK, McCormick LJ, Ghosh A. Synthesis and Molecular Structure of a Copper Octaiodocorrole. Acs Omega. 3: 5106-5110. PMID 31458725 DOI: 10.1021/acsomega.8b00616  0.802
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  0.792
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 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 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  0.822
2018 Thomas KE, McCormick LJ, Carrié D, Vazquez-Lima H, Simonneaux G, Ghosh A. Halterman Corroles and Their Use as a Probe of the Conformational Dynamics of the Inherently Chiral Copper Corrole Chromophore. Inorganic Chemistry. PMID 29608308 DOI: 10.1021/Acs.Inorgchem.7B02767  0.805
2018 Thomas KE, Gagnon KJ, MCormick LJ, Ghosh A. Molecular structure of gold 2,3,7,8,12,13,17,18-octabromo-5,10,15-tris(4′-pentafluorosulfanylphenyl)corrole: Potential insights into the insolubility of gold octabromocorroles Journal of Porphyrins and Phthalocyanines. 22: 596-601. DOI: 10.1142/S1088424618500815  0.745
2018 Thomassen IK, MCormick LJ, Ghosh A. Molecular Structure of a Free-Base β-Octaiodo-meso-tetraarylporphyrin. A Rational Route to cis Porphyrin Tautomers? Crystal Growth & Design. 18: 4257-4259. DOI: 10.1021/Acs.Cgd.8B00629  0.794
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  0.651
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  0.847
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  0.831
2017 Ganguly S, Thomas KE, Sarangi R, Ghosh A. Ligand Noninnocence in Iron Corroles: Insights from Optical and X-ray Absorption Spectroscopies and Electrochemical Redox Potentials. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 28845891 DOI: 10.1002/Chem.201702621  0.795
2017 Thomas KE, Beavers CM, Gagnon KJ, Ghosh A. β-Octabromo- and β-Octakis(trifluoromethyl)isocorroles: New Sterically Constrained Macrocyclic Ligands. Chemistryopen. 6: 402-409. PMID 28638773 DOI: 10.1002/Open.201700035  0.813
2017 Schies C, Alemayehu AB, Vazquez-Lima H, Thomas KE, Bruhn T, Bringmann G, Ghosh A. Metallocorroles as inherently chiral chromophores: resolution and electronic circular dichroism spectroscopy of a tungsten biscorrole. Chemical Communications (Cambridge, England). PMID 28530281 DOI: 10.1039/C7Cc02027A  0.785
2017 Alemayehu AB, Vazquez-Lima H, McCormick LJ, Ghosh A. Relativistic effects in metallocorroles: comparison of molybdenum and tungsten biscorroles. Chemical Communications (Cambridge, England). PMID 28497147 DOI: 10.1039/C7Cc01549F  0.804
2017 Alemayehu AB, Vazquez-Lima H, Gagnon KJ, Ghosh A. Stepwise Deoxygenation of Nitrite as a Route to Two Families of Ruthenium Corroles: Group 8 Periodic Trends and Relativistic Effects. Inorganic Chemistry. PMID 28422487 DOI: 10.1021/Acs.Inorgchem.7B00377  0.824
2017 Norheim HK, Schneider C, Gagnon KJ, Ghosh A. One-Pot Synthesis of a bis-Pocket Corrole through a 14-fold Bromination Reaction. Chemistryopen. 6: 221-225. PMID 28413755 DOI: 10.1002/Open.201600168  0.825
2017 Thomas KE, McCormick LJ, Vazquez-Lima H, Ghosh A. Stabilization and Structure of the Cis Tautomer of a Free-Base Porphyrin. Angewandte Chemie (International Ed. in English). PMID 28370984 DOI: 10.1002/Anie.201701965  0.805
2017 Ghosh A. Electronic Structure of Corrole Derivatives: Insights from Molecular Structures, Spectroscopy, Electrochemistry, and Quantum Chemical Calculations. Chemical Reviews. PMID 28191934 DOI: 10.1021/Acs.Chemrev.6B00590  0.462
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  0.679
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  0.787
2017 Thomas KE, McCormick LJ, Vazquez-Lima H, Ghosh A. Frontispiece: Stabilization and Structure of the cis  Tautomer of a Free-Base Porphyrin Angewandte Chemie International Edition. 56. DOI: 10.1002/Anie.201783461  0.735
2016 Einrem RF, Braband H, Fox T, Vazquez-Lima H, Alberto R, Ghosh A. 99Tc Corroles: A Step Toward Corrole-Based Radioimaging and Therapy. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 27802367 DOI: 10.1002/Chem.201605015  0.803
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  0.814
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  0.797
2016 Alemayehu AB, Day NU, Mani T, Rudine AB, Thomas KE, Gederaas OA, Vinogradov SA, Wamser CC, Ghosh A. Gold Tris(carboxyphenyl)corroles as Multifunctional Materials: Room Temperature Near-IR Phosphorescence and Applications to Photodynamic Therapy and Dye-Sensitized Solar Cells. Acs Applied Materials & Interfaces. PMID 27414087 DOI: 10.1021/Acsami.6B04269  0.781
2016 Capar J, Zonneveld J, Berg S, Isaksson J, Gagnon KJ, Thomas KE, Ghosh A. Demetalation of copper undecaarylcorroles: Molecular structures of a free-base undecaarylisocorrole and a gold undecaarylcorrole. Journal of Inorganic Biochemistry. PMID 27394061 DOI: 10.1016/J.Jinorgbio.2016.06.026  0.813
2016 Ganguly S, Vazquez-Lima H, Ghosh A. Wolves in Sheep's Clothing: μ-Oxo-Diiron Corroles Revisited. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 27333259 DOI: 10.1002/Chem.201601062  0.803
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  0.685
2016 Alemayehu AB, Vazquez-Lima H, Gagnon KJ, Ghosh A. Tungsten Biscorroles: New Chiral Sandwich Compounds. Chemistry (Weinheim An Der Bergstrasse, Germany). 22: 6914-20. PMID 27059004 DOI: 10.1002/Chem.201504848  0.821
2016 Borisov SM, Alemayehu A, Ghosh A. Osmium-nitrido corroles as NIR indicators for oxygen sensors and triplet sensitizers for organic upconversion and singlet oxygen generation Journal of Materials Chemistry C. 4: 5822-5828. DOI: 10.1039/C6Tc01126H  0.728
2016 Sarangi R, Giles LJ, Thomas KE, Ghosh A. Ligand Noninnocence in Silver Corroles: A XANES Investigation European Journal of Inorganic Chemistry. 2016: 3225-3227. DOI: 10.1002/Ejic.201600413  0.759
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  0.633
2016 Ghosh A, Conradie J. ChemInform Abstract: The Valence States of Copernicium and Flerovium. Cheminform. 47. DOI: 10.1002/CHIN.201638001  0.574
2015 Einrem RF, Gagnon KJ, Alemayehu AB, Ghosh A. Metal-Ligand Misfits: Facile Access to Rhenium-Oxo Corroles by Oxidative Metalation. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 26639951 DOI: 10.1002/Chem.201504307  0.807
2015 Norheim HK, Capar J, Einrem RF, Gagnon KJ, Beavers CM, Vazquez-Lima H, Ghosh A. Ligand noninnocence in FeNO corroles: insights from β-octabromocorrole complexes. Dalton Transactions (Cambridge, England : 2003). PMID 26619363 DOI: 10.1039/C5Dt03947A  0.808
2015 Thomassen IK, Vazquez-Lima H, Gagnon KJ, Ghosh A. Octaiodoporphyrin. Inorganic Chemistry. PMID 26571017 DOI: 10.1021/acs.inorgchem.5b02127  0.816
2015 Thomas KE, Vazquez-Lima H, Fang Y, Song Y, Gagnon KJ, Beavers CM, Kadish KM, Ghosh A. Ligand Noninnocence in Coinage Metal Corroles: A Silver Knife-Edge. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 26486614 DOI: 10.1002/chem.201503939  0.765
2015 Capar J, Berg S, Thomas KE, Beavers CM, Gagnon KJ, Ghosh A. Improved syntheses of β-octabromo-meso-triarylcorrole derivatives. Journal of Inorganic Biochemistry. PMID 26354820 DOI: 10.1016/J.Jinorgbio.2015.07.017  0.81
2015 Thomas KE, Vazquez-Lima H, Fang Y, Song Y, Gagnon KJ, Beavers CM, Kadish KM, Ghosh A. Ligand Noninnocence in Coinage Metal Corroles: A Silver Knife-Edge. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 26345592 DOI: 10.1002/Chem.201502150  0.81
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  0.812
2015 Vazquez-Lima H, Norheim HK, Einrem RF, Ghosh A. Cryptic noninnocence: FeNO corroles in a new light. Dalton Transactions (Cambridge, England : 2003). 44: 10146-51. PMID 25978788 DOI: 10.1039/C5Dt01495F  0.801
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  0.811
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  0.82
2015 Vazquez-Lima H, Norheim HK, Einrem RF, Ghosh A. Cryptic noninnocence: FeNO corroles in a new light Dalton Transactions. 44: 10146-10151. DOI: 10.1039/c5dt01495f  0.751
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  0.777
2015 Thomas KE, Vazquez-Lima H, Fang Y, Song Y, Gagnon KJ, Beavers CM, Kadish KM, Ghosh A. Cover Picture: Ligand Noninnocence in Coinage Metal Corroles: A Silver Knife-Edge (Chem. Eur. J. 47/2015) Chemistry - a European Journal. 21: 16701-16701. DOI: 10.1002/Chem.201584701  0.802
2014 Alemayehu AB, Gagnon KJ, Terner J, Ghosh A. Oxidative metalation as a route to size-mismatched macrocyclic complexes: osmium corroles. Angewandte Chemie (International Ed. in English). 53: 14411-4. PMID 25346094 DOI: 10.1002/Anie.201405890  0.804
2014 Yun L, Vazquez-Lima H, Fang H, Yao Z, Geisberger G, Dietl C, Ghosh A, Brothers PJ, Fu X. Synthesis and reactivity studies of a tin(II) corrole complex. Inorganic Chemistry. 53: 7047-54. PMID 24941110 DOI: 10.1021/Ic501103C  0.818
2014 Alemayehu AB, Vazquez-Lima H, Beavers CM, Gagnon KJ, Bendix J, Ghosh A. Platinum corroles. Chemical Communications (Cambridge, England). 50: 11093-6. PMID 24911328 DOI: 10.1039/c4cc02548b  0.807
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  0.702
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  0.815
2014 Ghosh A, Conradie J. Pentafluorosulfanyltrimethylsilane: A Nonexistent Molecule? European Journal of Inorganic Chemistry. 2015: 207-209. DOI: 10.1002/Ejic.201402928  0.661
2014 Alemayehu AB, Gagnon KJ, Terner J, Ghosh A. Back Cover: Oxidative Metalation as a Route to Size-Mismatched Macrocyclic Complexes: Osmium Corroles (Angew. Chem. Int. Ed. 52/2014) Angewandte Chemie International Edition. 53: 14612-14612. DOI: 10.1002/Anie.201411397  0.794
2014 Alemayehu AB, Gagnon KJ, Terner J, Ghosh A. Rücktitelbild: Oxidative Metalation as a Route to Size-Mismatched Macrocyclic Complexes: Osmium Corroles (Angew. Chem. 52/2014) Angewandte Chemie. 126: 14842-14842. DOI: 10.1002/Ange.201411397  0.795
2013 Berg S, Ghosh A. Six Impossible Mechanisms Before Breakfast: Arrow Pushing as an Instructional Device in Inorganic Chemistry Journal of Chemical Education. 90: 1446-1451. DOI: 10.1021/Ed3006693  0.721
2012 Berg S, Thomas KE, Beavers CM, Ghosh A. Undecaphenylcorroles. Inorganic Chemistry. 51: 9911-6. PMID 22954313 DOI: 10.1021/ic301388e  0.806
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  0.831
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  0.756
2012 Alemayehu A, Conradie MM, Ghosh A. Electronic absorption spectra of copper corroles: unexpected substituent effects in trans-meso-A2B-triarylcorrole complexes Journal of Porphyrins and Phthalocyanines. 16: 695-704. DOI: 10.1142/S108842461250085X  0.76
2012 Thomas KE, Beavers CM, Ghosh A. Molecular structure of a gold β-octakis(trifluoromethyl)-meso- triarylcorrole: An 85 difference in saddling dihedral relative to copper Molecular Physics. 110: 2439-2444. DOI: 10.1080/00268976.2012.695031  0.747
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  0.809
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  0.822
2011 Sandala GM, Hopmann KH, Ghosh A, Noodleman L. Calibration of DFT Functionals for the Prediction of Fe Mössbauer Spectral Parameters in Iron-Nitrosyl and Iron-Sulfur Complexes: Accurate Geometries Prove Essential. Journal of Chemical Theory and Computation. 7: 3232-3247. PMID 22039359 DOI: 10.1021/Ct200187D  0.691
2011 Ghosh A. Ab initio wavefunctions in bioinorganic chemistry: More than a succès d'estime? Journal of Biological Inorganic Chemistry : Jbic : a Publication of the Society of Biological Inorganic Chemistry. 16: 819-20. PMID 21755384 DOI: 10.1007/S00775-011-0816-5  0.401
2011 Hopmann KH, Cardey B, Gladwin MT, Kim-Shapiro DB, Ghosh A. Hemoglobin as a nitrite anhydrase: modeling methemoglobin-mediated N2O3 formation. Chemistry (Weinheim An Der Bergstrasse, Germany). 17: 6348-58. PMID 21590821 DOI: 10.1002/Chem.201003578  0.799
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  0.695
2011 Ikeue T, Handa M, Chamberlin A, Ghosh A, Ongayi O, Vicente MGH, Ikezaki A, Nakamura M. Benzoannelation stabilizes the d xy 1 state of low-spin iron(III) porphyrinates Inorganic Chemistry. 50: 3567-3581. PMID 21410230 DOI: 10.1021/Ic1024873  0.704
2011 Chamberlin AC, Ikezaki A, Nakamura M, Ghosh A. Iron porphyrin dications with neutral axial ligands: DFT calculations delineate similarities with heme protein compound II intermediates. The Journal of Physical Chemistry. B. 115: 3642-7. PMID 21410175 DOI: 10.1021/Jp111109E  0.749
2011 Thomas KE, Conradie J, Hansen LK, Ghosh A. Corroles cannot ruffle. Inorganic Chemistry. 50: 3247-51. PMID 21366225 DOI: 10.1021/Ic1017032  0.764
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  0.665
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  0.802
2011 Chamberlin AC, Ikezaki A, Nakamura M, Ghosh A. Iron porphyrin dications with neutral axial ligands: DFT calculations delineate similarities with heme protein compound II intermediates Journal of Physical Chemistry B. 115: 3642-3647. DOI: 10.1021/jp111109e  0.698
2011 Hopmann KH, Ghosh A, Noodleman L. Correction to Density Functional Theory Calculations on Mössbauer Parameters of Nonheme Iron Nitrosyls Inorganic Chemistry. 50: 4221-4221. DOI: 10.1021/Ic200575Z  0.637
2011 Berg S, Ghosh A. Arrow Pushing: A Rational, Participatory Approach To Teaching Descriptive Inorganic Chemistry Journal of Chemical Education. 88: 1663-1666. DOI: 10.1021/Ed200166Z  0.71
2011 Hopmann KH, Ghosh A. Mechanism of Cobalt-Porphyrin–Catalyzed Aziridination Acs Catalysis. 1: 597-600. DOI: 10.1021/Cs1001114  0.664
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  0.737
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  0.758
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  0.817
2011 Hopmann KH, Cardey B, Gladwin MT, Kim‐Shapiro DB, Ghosh A. Cover Picture: Hemoglobin as a Nitrite Anhydrase: Modeling Methemoglobin ‐ Mediated N 2 O 3 Formation (Chem. Eur. J. 23/2011) Chemistry – a European Journal. 17: 6277-6277. DOI: 10.1002/Chem.201190114  0.766
2010 Gonzalez E, Brothers PJ, Ghosh A. Density functional theory calculations on ruthenium(IV) bis(amido) porphyrins: search for a broader perspective of heme protein compound II intermediates. The Journal of Physical Chemistry. B. 114: 15380-8. PMID 20979402 DOI: 10.1021/Jp107692M  0.837
2010 Alemayehu AB, Hansen LK, Ghosh A. Nonplanar, noninnocent, and chiral: a strongly saddled metallocorrole. Inorganic Chemistry. 49: 7608-10. PMID 20681518 DOI: 10.1021/Ic1008736  0.719
2010 Hopmann KH, Noodleman L, Ghosh A. Spin coupling in Roussin's red and black salts. Chemistry (Weinheim An Der Bergstrasse, Germany). 16: 10397-408. PMID 20623807 DOI: 10.1002/Chem.200903344  0.664
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  0.8
2010 Albrett AM, Boyd PD, Clark GR, Gonzalez E, Ghosh A, Brothers PJ. Reductive coupling and protonation leading to diboron corroles with a B-H-B bridge. Dalton Transactions (Cambridge, England : 2003). 39: 4032-4. PMID 20390165 DOI: 10.1039/C002885C  0.782
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  0.819
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  0.806
2010 Conradie J, Ghosh A. Electronic structure of an iron-porphyrin-nitrene complex. Inorganic Chemistry. 49: 243-8. PMID 19994873 DOI: 10.1021/Ic901897W  0.696
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  0.708
2009 Hopmann KH, Ghosh A, Noodleman L. Density functional theory calculations on Mössbauer parameters of nonheme iron nitrosyls. Inorganic Chemistry. 48: 9155-65. PMID 19780615 DOI: 10.1021/Ic9008784  0.688
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  0.77
2009 Alemayehu AB, Gonzalez E, Hansen LK, Ghosh A. Copper corroles are inherently saddled. Inorganic Chemistry. 48: 7794-9. PMID 19618938 DOI: 10.1021/Ic900744V  0.814
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, ... ... Ghosh A, et al. Reply to 'Nitrite-methemoglobin inadequate for hypoxic vasodilation' Nature Chemical Biology. 5: 367. DOI: 10.1038/Nchembio0609-367  0.575
2008 Aquilante F, Malmqvist PÅ, Pedersen TB, Ghosh A, Roos BO. Cholesky Decomposition-Based Multiconfiguration Second-Order Perturbation Theory (CD-CASPT2): Application to the Spin-State Energetics of Co(III)(diiminato)(NPh). Journal of Chemical Theory and Computation. 4: 694-702. PMID 26621084 DOI: 10.1021/Ct700263H  0.652
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  0.714
2008 Ryeng H, Gonzalez E, Ghosh A. DFT at its best: metal- versus ligand-centered reduction in nickel hydroporphyrins. The Journal of Physical Chemistry. B. 112: 15158-73. PMID 18975889 DOI: 10.1021/Jp805486B  0.829
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  0.813
2008 Thomas KE, Wasbotten IH, Ghosh A. Copper beta-Octakis(trifluoromethyl)corroles: new paradigms for ligand substituent effects in transition metal complexes. Inorganic Chemistry. 47: 10469-78. PMID 18928275 DOI: 10.1021/Ic801101K  0.804
2008 Gonzalez E, Ghosh A. Models of the ox1 state of methylcoenzyme M reductase: where are the electrons? Chemistry (Weinheim An Der Bergstrasse, Germany). 14: 9981-9. PMID 18816556 DOI: 10.1002/Chem.200800648  0.702
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  0.815
2008 Ghosh A, Gonzalez E, Tangen E, Roos BO. Mapping the d-d excited-state manifolds of transition metal beta-diiminato-imido complexes. Comparison of density functional theory and CASPT2 energetics. The Journal of Physical Chemistry. A. 112: 12792-8. PMID 18433111 DOI: 10.1021/Jp711159H  0.816
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  0.813
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  0.802
2008 Capar C, Thomas KE, Ghosh A. Reductive demetalation of copper corroles: First simple route to free-base β-octabromocorroles Journal of Porphyrins and Phthalocyanines. 12: 964-967. DOI: 10.1142/S1088424608000340  0.604
2008 Aquilante F, Malmqvist PA, Pedersen TB, Ghosh A, Roos BO. Cholesky decomposition-based multiconfiguration second-order perturbation theory (CD-CASPT2): Application to the spin-state energetics of Co III(diiminato)(NPh) Journal of Chemical Theory and Computation. 4: 694-702. DOI: 10.1021/ct700263h  0.571
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  0.835
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  0.709
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  0.63
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  0.672
2007 Wasbotten IH, Ghosh A. Spin-state energetics and spin-crossover behavior of pseudotetrahedral cobalt(III)-imido complexes. The role of the tripodal supporting ligand. Inorganic Chemistry. 46: 7890-8. PMID 17713903 DOI: 10.1021/Ic700543F  0.821
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  0.823
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  0.681
2006 Ghosh A. Transition metal spin state energetics and noninnocent systems: challenges for DFT in the bioinorganic arena. Journal of Biological Inorganic Chemistry : Jbic : a Publication of the Society of Biological Inorganic Chemistry. 11: 712-24. PMID 16841211 DOI: 10.1007/S00775-006-0135-4  0.414
2006 Ghosh A. Just how good is DFT? Journal of Biological Inorganic Chemistry : Jbic : a Publication of the Society of Biological Inorganic Chemistry. 11: 671-3. PMID 16838153 DOI: 10.1007/S00775-006-0134-5  0.37
2006 Wasbotten I, Ghosh A. Biliverdine-based metalloradicals: sterically enhanced noninnocence. Inorganic Chemistry. 45: 4914-21. PMID 16780312 DOI: 10.1021/Ic052037W  0.834
2006 Wasbotten I, Ghosh A. Theoretical evidence favoring true iron(V)-oxo corrole and corrolazine intermediates. Inorganic Chemistry. 45: 4910-3. PMID 16780311 DOI: 10.1021/Ic0602493  0.802
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  0.652
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  0.819
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  0.808
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  0.692
2005 Ghosh A, Taylor PR. Iron(IV) Porphyrin Difluoride Does Not Exist:  Implications for DFT Calculations on Heme Protein Reaction Pathways. Journal of Chemical Theory and Computation. 1: 597-600. PMID 26641680 DOI: 10.1021/Ct050086S  0.496
2005 Ghosh A. Metalloporphyrin-NO bonding: building bridges with organometallic chemistry. Accounts of Chemical Research. 38: 943-54. PMID 16359166 DOI: 10.1021/Ar050121+  0.403
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  0.813
2005 Wasbotten IH, Ghosh A. Modeling side-on NO coordination to type 2 copper in nitrite reductase: structures, energetics, and bonding. Journal of the American Chemical Society. 127: 15384-5. PMID 16262398 DOI: 10.1021/Ja0559909  0.792
2005 Tangen E, Svadberg A, Ghosh A. Toward modeling H-NOX domains: a DFT study of heme-NO complexes as hydrogen bond acceptors. Inorganic Chemistry. 44: 7802-5. PMID 16241129 DOI: 10.1021/Ic050486Q  0.791
2005 Tangen E, Ghosh A. Electronic structure of cis-Mo(P)(NO)2, where P is a porphyrin: an organometallic perspective of metalloporphyrin-NO complexes. Journal of Inorganic Biochemistry. 99: 959-62. PMID 15811513 DOI: 10.1016/J.Jinorgbio.2005.02.006  0.792
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  0.821
2005 Ghosh A, Wasbotten IH, Davis W, Swarts JC. Norcorrole and Dihydronorcorrole: A Predictive Quantum Chemical Study European Journal of Inorganic Chemistry. 2005: 4479-4485. DOI: 10.1002/Ejic.200500433  0.826
2005 Shao J, Steene E, Hoffman BM, Ghosh A. EPR, ENDOR, and DFT studies on (β-octahalo-mesotetraarylporphyrin) copper complexes: Characterization of the metal(dx 2 -y 2)-porphyrin(a2u) orbital interaction European Journal of Inorganic Chemistry. 1609-1615. DOI: 10.1002/Ejic.200400549  0.808
2004 Ghosh A, Tangen E, Gonzalez E, Que L. Models of high-valent intermediates of non-heme diiron alkane monooxygenases: electronic structure of a bis(micro-oxo)diron(IV) complex with locally low-spin metal centers. Angewandte Chemie (International Ed. in English). 43: 834-8. PMID 14767952 DOI: 10.1002/Anie.200351768  0.815
2004 Ou Z, Shao J, Zhao H, Ohkubo K, Wasbotten IH, Fukuzumi S, Ghosh A, Kadish KM. Spectroelectrochemical and ESR studies of highly substituted copper corroles Journal of Porphyrins and Phthalocyanines. 8: 1236-1247. DOI: 10.1142/S1088424604000593  0.807
2004 Hansen T, Ovesen H, Svadberg A, Svendsen K, Tangen E, Swarts JC, Ghosh A. Unique Orbital Symmetry-Driven Cisoid Tilting of the Axial Ligands in Dialkylruthenium(IV) Porphyrins† Organometallics. 23: 3870-3872. DOI: 10.1021/Om049691O  0.806
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  0.699
2004 Ghosh A, Tangen E, Ryeng H, Taylor P. Cover Picture: Electronic Structure of High-Spin Iron(IV) Complexes (Eur. J. Inorg. Chem. 23/2004) European Journal of Inorganic Chemistry. 2004: 4537-4537. DOI: 10.1002/Ejic.200490046  0.797
2004 Ghosh A, Tangen E, Ryeng H, Taylor PR. Electronic structure of high-spin iron(IV) complexes European Journal of Inorganic Chemistry. 4555-4560. DOI: 10.1002/Ejic.200400362  0.806
2004 van Oort B, Tangen E, Ghosh A. Electronic Structure of Transition Metal−Isocorrole Complexes: A First Quantum Chemical Study European Journal of Inorganic Chemistry. 2004: 2442-2445. DOI: 10.1002/Ejic.200300949  0.813
2003 Steene E, Dey A, Ghosh A. Beta-octafluorocorroles. Journal of the American Chemical Society. 125: 16300-9. PMID 14692771 DOI: 10.1021/ja021158h  0.819
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  0.8
2003 Ghosh A, Persson BJ, Taylor PR. Ab initio multiconfiguration reference perturbation theory calculations on the energetics of low-energy spin states of iron(III) porphyrins. Journal of Biological Inorganic Chemistry : Jbic : a Publication of the Society of Biological Inorganic Chemistry. 8: 507-11. PMID 12687436 DOI: 10.1007/S00775-002-0435-2  0.55
2003 Ghosh A, Taylor PR. High-level ab initio calculations on the energetics of low-lying spin states of biologically relevant transition metal complexes: a first progress report. Current Opinion in Chemical Biology. 7: 113-24. PMID 12547436 DOI: 10.1016/S1367-5931(02)00023-6  0.545
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  0.697
2003 Wasbotten IH, Conradie J, Ghosh A. Electronic Absorption and Resonance Raman Signatures of Hyperporphyrins and Nonplanar Porphyrins The Journal of Physical Chemistry B. 107: 3613-3623. DOI: 10.1021/Jp014417I  0.795
2002 Ghosh A, Steene E. High-valent transition metal centers versus noninnocent ligands in metallocorroles: insights from electrochemistry and implications for high-valent heme protein intermediates. Journal of Inorganic Biochemistry. 91: 423-36. PMID 12175935 DOI: 10.1016/S0162-0134(02)00484-1  0.834
2002 Vangberg T, Lie R, Ghosh A. Symmetry-breaking phenomena in metalloporphyrin pi-cation radicals. Journal of the American Chemical Society. 124: 8122-30. PMID 12095358 DOI: 10.1021/Ja011438H  0.706
2002 Tangen E, Ghosh A. Electronic structure of high-valent transition metal corrolazine complexes. The young and innocent? Journal of the American Chemical Society. 124: 8117-21. PMID 12095357 DOI: 10.1021/Ja0126935  0.834
2002 Wasbotten IH, Wondimagegn T, Ghosh A. Electronic absorption, resonance Raman, and electrochemical studies of planar and saddled copper(III) meso-triarylcorroles. Highly substituent-sensitive Soret bands as a distinctive feature of high-valent transition metal corroles. Journal of the American Chemical Society. 124: 8104-16. PMID 12095356 DOI: 10.1021/Ja0113697  0.807
2002 Ryeng H, Ghosh A. Do nonplanar distortions of porphyrins bring about strongly red-shifted electronic spectra? Controversy, consensus, new developments, and relevance to chelatases. Journal of the American Chemical Society. 124: 8099-103. PMID 12095355 DOI: 10.1021/Ja0202659  0.815
2002 Dey A, Ghosh A. "True" iron(V) and iron(VI) porphyrins: a first theoretical exploration. Journal of the American Chemical Society. 124: 3206-7. PMID 11916394 DOI: 10.1021/Ja012402S  0.614
2002 Steene E, Wondimagegn T, Ghosh A. Resonance Raman spectroscopy and density functional theoretical calculations of manganese corroles. A parallelism between high-valent metallocorroles and metalloporphyrins, relevant to horseradish peroxidase and chloroperoxidase compound I and II intermediates. Journal of Inorganic Biochemistry. 88: 113-8. PMID 11750033 DOI: 10.1016/S0162-0134(01)00396-8  0.797
2001 Ghosh A, Moulder J, Bröring M, Vogel E. X-Ray Photoelectron Spectroscopy of Porphycenes: Charge Asymmetry Across Low-Barrier Hydrogen Bonds. Angewandte Chemie (International Ed. in English). 40: 431-434. PMID 29712408 DOI: 10.1002/1521-3773(20010119)40:2<431::Aid-Anie431>3.0.Co;2-A  0.456
2001 Ghosh A, Wondimagegn T, Ryeng H. Deconstructing F(430): quantum chemical perspectives of biological methanogenesis. Current Opinion in Chemical Biology. 5: 744-50. PMID 11738187 DOI: 10.1016/S1367-5931(01)00274-5  0.788
2001 Ghosh A, Steene E. High-valent transition metal centers and noninnocent ligands in metalloporphyrins and related molecules: a broad overview based on quantum chemical calculations. Journal of Biological Inorganic Chemistry : Jbic : a Publication of the Society of Biological Inorganic Chemistry. 6: 739-52. PMID 11681708 DOI: 10.1007/S007750100275  0.814
2001 Wondimagegn T, Ghosh A. Theoretical modeling of putative Ni(III)--F(430) intermediates of methylcoenzyme M reductase. Journal of the American Chemical Society. 123: 1543-4. PMID 11456747 DOI: 10.1021/Ja001870J  0.71
2001 Wondimagegn T, Ghosh A. A quantum chemical survey of metalloporphyrin-nitrosyl linkage isomers: insights into the observation of multiple FeNO conformations in a recent crystallographic determination of nitrophorin 4. Journal of the American Chemical Society. 123: 5680-3. PMID 11403599 DOI: 10.1021/Ja004314Y  0.762
2001 Ghosh A, Moulder J, Bröring M, Vogel E. X-Ray Photoelectron Spectroscopy of Porphycenes: Charge Asymmetry Across Low-Barrier Hydrogen Bonds This work was supported by the Norwegian Research Council, the VISTA program of Statoil (Norway), the Norwegian Academy of the Sciences and Letters, and the Deutsche Forschungsgemeinschaft. A.G. acknowledges stimulating discussions with Professor Thomas H. Morton. Angewandte Chemie (International Ed. in English). 40: 431-434. PMID 11180347 DOI: 10.1002/1521-3773(20010119)40:2<431::AID-ANIE431>3.0.CO;2-A  0.36
2001 Steene E, Wondimagegn T, Ghosh A. Electrochemical and Electronic Absorption Spectroscopic Studies of Substituent Effects in Iron(IV) and Manganese(IV) Corroles. Do the Compounds Feature High-Valent Metal Centers or Noninnocent Corrole Ligands? Implications for Peroxidase Compound I and II Intermediates The Journal of Physical Chemistry B. 105: 11406-11413. DOI: 10.1021/Jp012037R  0.84
2001 Ghosh A, Halvorsen I, Nilsen HJ, Steene E, Wondimagegn T, Lie R, van Caemelbecke E, Guo N, Ou Z, Kadish KM. Electrochemistry of Nickel and Copperβ-Octahalogeno-meso-tetraarylporphyrins. Evidence for Important Role Played by Saddling-Induced Metal(dx2-y2)−Porphyrin(“a2u”) Orbital Interactions The Journal of Physical Chemistry B. 105: 8120-8124. DOI: 10.1021/Jp011984X  0.81
2001 Ghosh A. High-valent metalloporphyrins: Metal- versus ligand-centered oxidation Journal of Biological Inorganic Chemistry. 6: 726. DOI: 10.1007/S007750100279  0.35
2001 HALVORSEN I, STEENE E, GHOSH A. Resonance Raman marker bands of β-octahalogeno-meso-tetraarylmetalloporphyrins Journal of Porphyrins and Phthalocyanines. 5: 721-730. DOI: 10.1002/Jpp.378  0.822
2001 Ghosh A, Vangberg T, Gonzalez E, Taylor P. Molecular structures and electron distributions of higher-valent iron and manganese porphyrins. Density functional theory calculations and some preliminary open-shell coupled-cluster results Journal of Porphyrins and Phthalocyanines. 5: 345-356. DOI: 10.1002/Jpp.317  0.835
2000 Ghosh A, Wondimagegn T, Gonzalez E, Halvorsen I. Valence tautomerism and macrocycle ruffling in nickel(III) porphyrins. Journal of Inorganic Biochemistry. 78: 79-82. PMID 10714708 DOI: 10.1016/S0162-0134(99)00212-3  0.818
2000 Ghosh A, Gonzalez E. Theoretical studies on high-valent manganese porphyrins: Toward a deeper understanding of the energetics, electron distributions, and structural features of the reactive intermediates of enzymatic and synthetic manganese-catalyzed oxidative processes Israel Journal of Chemistry. 40: 1-8. DOI: 10.1560/2Yqb-Q2Br-Uk2L-Aadj  0.699
2000 Parusel ABJ, Ghosh A. Density Functional Theory Based Configuration Interaction Calculations on the Electronic Spectra of Free-Base Porphyrin, Chlorin, Bacteriochlorin, andcis- andtrans-Isobacteriochlorin The Journal of Physical Chemistry A. 104: 2504-2507. DOI: 10.1021/Jp9921046  0.339
2000 Wondimagegn T, Ghosh A. Ruffling Deformations of Nickel(II) and Zinc(II) Hydroporphyrin and Chlorophin Complexes:  Implications for F430, the Nickel Tetrapyrrole Cofactor of Methylcoenzyme M Reductase† The Journal of Physical Chemistry B. 104: 10858-10862. DOI: 10.1021/Jp000081L  0.769
2000 Wondimagegn T, Ghosh A. Conformational Flexibility ofmeso-Tetrakis(perfluoroalkyl)porphyrins:  Energetics of Ruffling versus Saddling The Journal of Physical Chemistry A. 104: 4606-4608. DOI: 10.1021/Jp0000376  0.757
2000 Ghosh A, Wondimagegn T, Parusel ABJ. Electronic Structure of Gallium, Copper, and Nickel Complexes of Corrole. High-Valent Transition Metal Centers versus Noninnocent Ligands Journal of the American Chemical Society. 122: 5100-5104. DOI: 10.1021/Ja9943243  0.456
2000 Parusel ABJ, Wondimagegn T, Ghosh A. Do Nonplanar Porphyrins Have Red-Shifted Electronic Spectra? A DFT/SCI Study and Reinvestigation of a Recent Proposal Journal of the American Chemical Society. 122: 6371-6374. DOI: 10.1021/Ja000757Q  0.354
2000 Wondimagegn T, Ghosh A. A First-Principles Quantum Chemical Study of Coenzyme F430:  Interplay of Skeletal Stereoisomerism and Conformation in the Stabilization of Nickel(I) Journal of the American Chemical Society. 122: 6375-6381. DOI: 10.1021/Ja000648B  0.745
1999 Ghosh A, Gonzalez E, Vangberg T. Theoretical Studies of Low-Spin Six-Coordinate Iron(III) Porphyrins Relevant to Cytochromesb: Variable Electronic Configurations, Ligand Noninnocence, and Macrocycle Ruffling The Journal of Physical Chemistry B. 103: 1363-1367. DOI: 10.1021/Jp9830124  0.815
1999 Vangberg T, Ghosh A. A First-Principles Quantum Chemical Analysis of the Factors Controlling Ruffling Deformations of Porphyrins:  Insights from the Molecular Structures and Potential Energy Surfaces of Silicon, Phosphorus, Germanium, and Arsenic Porphyrins and of a Peroxidase Compound I Model Journal of the American Chemical Society. 121: 12154-12160. DOI: 10.1021/Ja992457I  0.373
1998 Ghosh A, Wondimagegn T, Nilsen HJ. Molecular Structures, Tautomerism, and Carbon Nucleophilicity of Free-Base Inverted Porphyrins and Carbaporphyrins:  A Density Functional Theoretical Study The Journal of Physical Chemistry B. 102: 10459-10467. DOI: 10.1021/Jp983010J  0.748
1998 Vangberg T, Ghosh A. Direct Porphyrin−Aryl Orbital Overlaps in Somemeso-Tetraarylporphyrins Journal of the American Chemical Society. 120: 6227-6230. DOI: 10.1021/Ja980652B  0.704
1998 Ghosh A, Vangberg T. Comparative Thermochemistry of Metalloporphyrin Isomers as a Function of Metal Ion Size. A Possible Insight into Nature's Choice of Porphyrin over Isomeric Ligands Inorganic Chemistry. 37: 6276-6280. DOI: 10.1021/Ic9807994  0.712
1997 Ghosh A, Jynge K. Cis−TransIsomerism in Porphyrin Isomers The Journal of Physical Chemistry B. 101: 5459-5462. DOI: 10.1021/Jp971446D  0.327
1997 Ghosh A. Theoretical Comparative Study of Free Base Porphyrin, Chlorin, Bacteriochlorin, and Isobacteriochlorin:  Evaluation of the Potential Roles ofab InitioHartree−Fock and Density Functional Theories in Hydroporphyrin Chemistry The Journal of Physical Chemistry B. 101: 3290-3297. DOI: 10.1021/Jp964069Y  0.354
1997 Vangberg T, Ghosh A. Monodeprotonated Free Base Porphyrin The Journal of Physical Chemistry B. 101: 1496-1497. DOI: 10.1021/Jp963408K  0.683
1997 Vangberg T, Bocian DF, Ghosh A. Deformability of Fe(II)CO and Fe(III)CN groups in heme protein models: Nonlocal density functional theory calculations Journal of Biological Inorganic Chemistry. 2: 526-530. DOI: 10.1007/S007750050166  0.737
1997 Ghosh A, Vangberg T. Valence ionization potentials and cation radicals of prototype porphyrins. The remarkable performance of nonlocal density functional theory Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta). 97: 143-149. DOI: 10.1007/S002140050247  0.689
1997 Ghosh A, Jynge K. Molecular Structures and Energetics of Corrole Isomers: A Comprehensive Local Density Functional Theoretical Study Chemistry - a European Journal. 3: 823-833. DOI: 10.1002/Chem.19970030523  0.416
1996 Ghosh A. A comparison of ortho, meta, and para substituent effects in tetraphenylporphyrins: insights into the nature of the porphyrin-phenyl electronic interaction Journal of Molecular Structure: Theochem. 388: 359-363. DOI: 10.1016/S0166-1280(96)80050-9  0.312
1996 Ghosh A, Almlöf J, Que L. Electronic Structure of Non-Heme High-Valent Oxoiron Complexes with the Unprecedented[Fe2(μO)2]3+ Core Angewandte Chemie International Edition in English. 35: 770-772. DOI: 10.1002/Anie.199607701  0.64
1996 Ghosh A, Almlöf J, Que L. Elektronenstruktur von Nicht-Häm-Oxoeisen-komplexen in hohen Oxidationsstufen mit der bislang unbekannten [Fe2(μ-O)2]3+-Einheit Angewandte Chemie. 108: 846-849. DOI: 10.1002/Ange.19961080728  0.578
1995 Kalsbeck WA, Ghosh A, Pandey RK, Smith KM, Bocian DF. Determinants of the vinyl stretching frequency in protoporphyrins. Implications for cofactor-protein interactions in heme proteins Journal of the American Chemical Society. 117: 10959-10968. DOI: 10.1021/Ja00149A019  0.518
1995 Ghosh A. N‐Confused Porphyrins and Singlet Carbenes: Is There a Connection? Angewandte Chemie International Edition in English. 34: 1028-1030. DOI: 10.1002/Anie.199510281  0.36
1994 Ghosh A, Gassman PG, Almloef J. Substituent Effects in Porphyrazines and Phthalocyanines Journal of the American Chemical Society. 116: 1932-1940. DOI: 10.1021/ja00084a038  0.418
1994 Ghosh A, Gassman PG, Almlöf J. Substituent effects in porphyrazines and phthalocyanines Journal of the American Chemical Society. 116: 1932-1940. DOI: 10.1021/Ja00084A038  0.704
1994 Ghosh A, Almlof J, Que L. Density Functional Theoretical Study of Oxo(porphyrinato)iron(IV) Complexes, Models of Peroxidase Compounds I and II The Journal of Physical Chemistry. 98: 5576-5579. DOI: 10.1021/J100072A027  0.63
1994 Ghosh A, Fitzgerald J, Gassman PG, Almlof J. Electronic Distinction between Porphyrins and Tetraazaporphyrins. Insights from X-Ray Photoelectron Spectra of Free Base Porphyrin, Porphyrazine, and Phthalocyanine Ligands Inorganic Chemistry. 33: 6057-6060. DOI: 10.1021/ic00104a014  0.507
1994 Ghosh A, Fitzgerald J, Gassman PG, Almlöf J. Electronic distinction between porphyrins and tetraazaporphyrins. Insights from X-ray photoelectron spectra of free base porphyrin, porphyrazine, and phthalocyanine ligands Inorganic Chemistry. 33: 6057-6060. DOI: 10.1021/Ic00104A014  0.714
1993 Almlof J, Fischer TH, Gassman PG, Ghosh A, Haeser M. Electron correlation in tetrapyrroles: ab initio calculations on porphyrin and the tautomers of chlorin The Journal of Physical Chemistry. 97: 10964-10970. DOI: 10.1021/j100144a012  0.449
1993 Almlöf J, Fischer TH, Gassman PG, Ghosh A, Häser M. Electron correlation in tetrapyrroles. Ab initio calculations on porphyrin and the tautomers of chlorin Journal of Physical Chemistry. 97: 10964-10970. DOI: 10.1021/J100144A012  0.697
1993 Ghosh A, Wrinn M, Que L. Ab initio calculations on biologically relevant high-valent iron-oxo species Journal of Inorganic Biochemistry. 51: 303. DOI: 10.1016/0162-0134(93)85335-6  0.303
1993 Ghosh A, Almlöf J. The ultraviolet photoelectron spectrum of free-base porphyrin revisited. The performance of local density functional theory Chemical Physics Letters. 213: 519-521. DOI: 10.1016/0009-2614(93)89152-8  0.606
1992 Gassman PG, Ghosh A, Almlof J. Electronic effects of peripheral substituents in porphyrins: x-ray photoelectron spectroscopy and ab initio self-consistent field calculations Journal of the American Chemical Society. 114: 9990-10000. DOI: 10.1021/ja00051a035  0.459
1992 Gassman PG, Ghosh A, Almlöf J. Electronic effects of peripheral substituents in porphyrins: X-ray photoelectron spectroscopy and ab initio self-consistent field calculations Journal of the American Chemical Society. 114: 9990-10000. DOI: 10.1021/Ja00051A035  0.698
1991 Ghosh A, Almlöf J, Gassman PG. Ab initio SCF studies of basis set effects in free base porphin Chemical Physics Letters. 186: 113-118. DOI: 10.1016/0009-2614(91)80200-H  0.667
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