| Year |
Citation |
Score |
| 2024 |
Alemayehu AB, Settineri NS, Lanza AE, Ghosh A. Rhenium-Sulfido and -Dithiolato Corroles: Reflections on Chalcophilicity. Inorganic Chemistry. PMID 39680845 DOI: 10.1021/acs.inorgchem.4c04091 |
0.707 |
|
| 2024 |
Giovanelli L, Ksari Y, Mrezguia H, Salomon E, Minissale M, Alemayehu AB, Ghosh A. Inverse Photoemission Spectroscopy of Coinage Metal Corroles: Comparison with Solution-Phase Electrochemistry. Acs Organic & Inorganic Au. 4: 485-491. PMID 39371327 DOI: 10.1021/acsorginorgau.4c00027 |
0.707 |
|
| 2024 |
Curtis CJ, Habenšus I, Conradie J, Bardin AA, Nannenga BL, Ghosh A, Tomat E. Gold Tripyrrindione: Redox Chemistry and Reactivity with Dichloromethane. Inorganic Chemistry. PMID 39215706 DOI: 10.1021/acs.inorgchem.4c02903 |
0.79 |
|
| 2024 |
Ghosh A, Conradie J. Theoretical Photoelectron Spectroscopy of Metal-Metal Quintuple Bonds: Relativity-Driven Reordering of Frontier Orbitals. Acs Organic & Inorganic Au. 4: 301-305. PMID 38855336 DOI: 10.1021/acsorginorgau.4c00002 |
0.653 |
|
| 2024 |
Larsen S, Adewuyi JA, Thomas KE, Conradie J, Rousselin Y, Ung G, Ghosh A. Electronic Structure of Metallophlorins: Lessons from Iridium and Gold Phlorin Derivatives. Inorganic Chemistry. PMID 38743029 DOI: 10.1021/acs.inorgchem.4c00483 |
0.825 |
|
| 2024 |
Osterloh WR, Desbois N, Conradie J, Gros CP, Kadish KM, Ghosh A. Inverse Hypercorroles. Inorganic Chemistry. PMID 38696617 DOI: 10.1021/acs.inorgchem.4c00344 |
0.72 |
|
| 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 |
0.65 |
|
| 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 |
0.616 |
|
| 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 |
0.83 |
|
| 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 |
0.792 |
|
| 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 |
0.681 |
|
| 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 |
0.612 |
|
| 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 |
0.677 |
|
| 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 |
0.619 |
|
| 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 |
0.594 |
|
| 2022 |
Ghosh A, Conradie J. Porphyryne. Acs Omega. 7: 40275-40278. PMID 36385855 DOI: 10.1021/acsomega.2c05199 |
0.622 |
|
| 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 |
0.646 |
|
| 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 |
0.613 |
|
| 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 |
0.61 |
|
| 2022 |
Wamser CC, Ghosh A. The Hyperporphyrin Concept: A Contemporary Perspective. Jacs Au. 2: 1543-1560. PMID 35911463 DOI: 10.1021/jacsau.2c00255 |
0.645 |
|
| 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 |
0.772 |
|
| 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 |
0.82 |
|
| 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 |
0.802 |
|
| 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 |
0.778 |
|
| 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 |
0.651 |
|
| 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 |
0.758 |
|
| 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 |
0.817 |
|
| 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 |
0.802 |
|
| 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 |
0.717 |
|
| 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 |
0.804 |
|
| 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 |
0.732 |
|
| 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 |
0.791 |
|
| 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 |
0.614 |
|
| 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 |
0.794 |
|
| 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 |
0.328 |
|
| 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 |
0.589 |
|
| 2020 |
Alemayehu AB, Teat SJ, Borisov SM, Ghosh A. Rhenium-Imido Corroles. Inorganic Chemistry. PMID 32275406 DOI: 10.1021/Acs.Inorgchem.0C00477 |
0.8 |
|
| 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 |
0.812 |
|
| 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 |
0.777 |
|
| 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 |
0.725 |
|
| 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 |
0.753 |
|
| 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 |
0.794 |
|
| 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 |
0.694 |
|
| 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 |
0.594 |
|
| 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 |
0.695 |
|
| 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 |
0.65 |
|
| 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 |
0.799 |
|
| 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 |
0.748 |
|
| 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 |
0.813 |
|
| 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 |
0.789 |
|
| 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 |
0.785 |
|
| 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 |
0.774 |
|
| 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 |
0.744 |
|
| 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 |
0.646 |
|
| 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 |
0.847 |
|
| 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 |
0.832 |
|
| 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 |
0.792 |
|
| 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 |
0.805 |
|
| 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 |
0.804 |
|
| 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 |
0.463 |
|
| 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 |
0.676 |
|
| 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 |
0.734 |
|
| 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 |
0.813 |
|
| 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 |
0.782 |
|
| 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 |
0.681 |
|
| 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 |
0.724 |
|
| 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 |
0.757 |
|
| 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 |
0.629 |
|
| 2016 |
Ghosh A, Conradie J. ChemInform Abstract: The Valence States of Copernicium and Flerovium. Cheminform. 47. DOI: 10.1002/CHIN.201638001 |
0.568 |
|
| 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 |
0.811 |
|
| 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 |
0.819 |
|
| 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 |
0.802 |
|
| 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 |
0.808 |
|
| 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 |
0.699 |
|
| 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 |
0.657 |
|
| 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 |
0.792 |
|
| 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 |
0.793 |
|
| 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 |
0.754 |
|
| 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 |
0.757 |
|
| 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 |
0.808 |
|
| 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 |
0.686 |
|
| 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 |
0.402 |
|
| 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 |
0.798 |
|
| 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 |
0.692 |
|
| 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 |
0.761 |
|
| 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 |
0.66 |
|
| 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 |
0.803 |
|
| 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 |
0.632 |
|
| 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 |
0.659 |
|
| 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 |
0.734 |
|
| 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 |
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 |
0.815 |
|
| 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 |
0.833 |
|
| 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 |
0.715 |
|
| 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 |
0.658 |
|
| 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 |
0.796 |
|
| 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 |
0.777 |
|
| 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 |
0.804 |
|
| 2010 |
Conradie J, Ghosh A. Electronic structure of an iron-porphyrin-nitrene complex. Inorganic Chemistry. 49: 243-8. PMID 19994873 DOI: 10.1021/Ic901897W |
0.692 |
|
| 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 |
0.704 |
|
| 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 |
0.683 |
|
| 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 |
0.765 |
|
| 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 |
0.812 |
|
| 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 |
0.569 |
|
| 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 |
0.653 |
|
| 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 |
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 |
0.83 |
|
| 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 |
0.811 |
|
| 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 |
0.693 |
|
| 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 |
0.812 |
|
| 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 |
0.811 |
|
| 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 |
0.603 |
|
| 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 |
0.836 |
|
| 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 |
0.706 |
|
| 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 |
0.626 |
|
| 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 |
0.668 |
|
| 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 |
0.677 |
|
| 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 |
0.415 |
|
| 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 |
0.371 |
|
| 2006 |
Wasbotten I, Ghosh A. Biliverdine-based metalloradicals: sterically enhanced noninnocence. Inorganic Chemistry. 45: 4914-21. PMID 16780312 DOI: 10.1021/Ic052037W |
0.835 |
|
| 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 |
0.648 |
|
| 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 |
0.688 |
|
| 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 |
0.493 |
|
| 2005 |
Ghosh A. Metalloporphyrin-NO bonding: building bridges with organometallic chemistry. Accounts of Chemical Research. 38: 943-54. PMID 16359166 DOI: 10.1021/Ar050121+ |
0.404 |
|
| 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 |
0.696 |
|
| 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 |
0.814 |
|
| 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 |
0.549 |
|
| 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 |
0.694 |
|
| 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 |
0.704 |
|
| 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 |
0.612 |
|
| 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 |
0.351 |
|
| 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 |
0.821 |
|
| 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 |
0.69 |
|
| 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 |
0.341 |
|
| 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 |
0.77 |
|
| 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 |
0.758 |
|
| 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 |
0.458 |
|
| 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 |
0.356 |
|
| 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 |
0.812 |
|
| 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 |
0.374 |
|
| 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 |
0.703 |
|
| 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 |
0.711 |
|
| 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 |
0.355 |
|
| 1997 |
Vangberg T, Ghosh A. Monodeprotonated Free Base Porphyrin The Journal of Physical Chemistry B. 101: 1496-1497. DOI: 10.1021/Jp963408K |
0.681 |
|
| 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 |
0.736 |
|
| 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 |
0.688 |
|
| 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 |
0.417 |
|
| 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 |
0.314 |
|
| 1996 |
Ghosh A, Almlöf J, Que L. Electronic Structure of Non-Heme High-Valent Oxoiron Complexes with the Unprecedented[Fe2(μO)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 |
0.519 |
|
| 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 |
0.361 |
|
| 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 |
0.508 |
|
| 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 |
0.45 |
|
| 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 |
0.607 |
|
| 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 |
0.46 |
|
| 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 |
0.699 |
|
| 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 |
|
| Show low-probability matches. |
