About: A First TDDFT Study of Metallocorrole Electronic Spectra: Copper meso-Triarylcorroles Exhibit Hyper Spectra

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scholarly article by Abraham Alemayehu et al published 17 March 2011 in European Journal of Inorganic Chemistry

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rdf:type	Item
description	wetenschappelijk artikel (nl) наукова стаття, опублікована в березні 2011 (uk) im März 2011 veröffentlichter wissenschaftlicher Artikel (de) scholarly article by Abraham Alemayehu et al published 17 March 2011 in European Journal of Inorganic Chemistry (en)
publication date	wds:Q58205583-8E3B31BF-3C0F-4304-BCE0-76A9387013D9
publication date	2011-03-17 00:00:00Z (xsd:dateTime)
cites work	wds:Q58205583-02245EB4-4985-46AF-A63D-9272D713C0C4 wds:Q58205583-03B49939-2A30-4D1D-A3CF-998F1FB4CE93 wds:Q58205583-047DF427-C04A-4F58-A74F-E2ECA7D02E1F wds:Q58205583-116D26B6-E57C-40A0-B438-9E3E06DA2E16 wds:Q58205583-1499128B-2D86-4667-BECD-16B002844E23 wds:Q58205583-17B73F7C-B44E-4B84-8954-F3630A83542F wds:Q58205583-180BC6A1-8968-4BD1-A2E8-4B943353A1EB wds:Q58205583-1B5C14ED-A276-4684-8A8C-B5E5EF3B1BE3 wds:Q58205583-1FA7C06E-9D66-41ED-9317-69C5380E6FEB wds:Q58205583-276AE3B3-841F-4A0C-8F84-6B43C1FA0CC8 wds:Q58205583-38045A2D-49AE-4564-8524-04C37B37C988 wds:Q58205583-39A851D5-7FE3-4D7E-89B3-1CF16AA9FF78 wds:Q58205583-3A2C9BA1-4B4D-4A10-838D-4B0A6F4EBA1B wds:Q58205583-42F04109-298A-4EB8-AF09-E6A46A18E71B wds:Q58205583-5BC9D7E6-5B0E-410F-8EE3-C774FB20950E wds:Q58205583-5DC7DB8C-2CE4-4278-8DC1-C327A03F41E5 wds:Q58205583-60A8DA79-00F8-4BD0-8CE9-0342FB5179A4 wds:Q58205583-7055A532-3554-405D-975F-C0FE997E34AD wds:Q58205583-73C54053-0A01-4A26-9302-875944FE5666 wds:Q58205583-7E115C12-C160-45B6-AD69-3A1244BB6297 wds:Q58205583-7E3F1501-2370-4294-9119-490A0FCC6D9F wds:Q58205583-8427D086-B183-47EB-84C4-888DA30F5D68 wds:Q58205583-8578204E-72EC-488F-A5D9-C7E564DCCB58 wds:Q58205583-884EE27A-66C7-4A53-87AF-F922AEF461AB wds:Q58205583-9184731D-17FE-42F0-98F8-4A543E7E52A2 wds:Q58205583-963980CA-FD8E-4377-AD2E-8247E9AECD04 wds:Q58205583-9E1EE849-253F-40D7-B6EE-745F2FFBAE21 wds:Q58205583-9F8B7D02-2640-4D16-BE88-67E5446B3BC9 wds:Q58205583-B300754A-0E55-4882-B0DC-47612D7BA677 wds:Q58205583-B91A396D-80DC-4069-975A-FBD139DF3274 wds:Q58205583-C089CC79-3B07-4DFE-823D-01E8CE8836D1 wds:Q58205583-CEDAE650-293B-48B3-B0BC-AD44F3C65EE1 wds:Q58205583-ED0A9601-9656-4D35-A06C-08D29700B98F wds:Q58205583-ED2D8435-89F5-45EE-BCBC-D449A10D1FAD wds:Q58205583-F4E3A3DE-6DED-431B-8C1D-0EB9A0D84536 wds:Q58205583-F5419811-D02C-4653-B100-045CA9EDE336
cites work	Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density COSMO: a new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient Semiempirical hybrid density functional with perturbative second-order correlation Density functional theory for transition metals and transition metal chemistry Electronic excitations: density-functional versus many-body Green’s-function approaches Failure of time-dependent density functional theory for long-range charge-transfer excited states: the zincbacteriochlorin-bacteriochlorin and bacteriochlorophyll-spheroidene complexes 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 Corrole-based applications Iron corrolates: unambiguous chloroiron(III) (corrolate)(2-.) pi-cation radicals. The electronic structure of iron corroles: a combined experimental and quantum chemical study Functionalization of corroles: the nitration reaction. Double-hybrid density functional theory for excited electronic states of molecules Electronic structure of high-valent transition metal corrolazine complexes. The young and innocent? 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 a Electronic Structure of Gallium, Copper, and Nickel Complexes of Corrole. High-Valent Transition Metal Centers versus Noninnocent Ligands Not Innocent: Verdict from Ab Initio Multiconfigurational Second-Order Perturbation Theory on the Electronic Structure of Chloroiron Corrole Chemistry with ADF Tuned range-separated hybrids in density functional theory. High-valent transition metal centers and noninnocent ligands in metalloporphyrins and related molecules: a broad overview based on quantum chemical calculations Transition metal spin state energetics and noninnocent systems: challenges for DFT in the bioinorganic arena Beta-octafluorocorroles Copper corroles are inherently saddled. Norcorrole and Dihydronorcorrole: A Predictive Quantum Chemical Study Synthesis and atructure of [meso-triarylcorrolato]silver(III). Nonplanar, noninnocent, and chiral: a strongly saddled metallocorrole Treatment of the outlying charge in continuum solvation models Modeling the Excited States of Biological Chromophores within Many-Body Green's Function Theory Theoretical Evidence Favoring True Iron(V)-Oxo Corrole and Corrolazine Intermediates Asymptotic correction of the exchange-correlation kernel of time-dependent density functional theory for long-range charge-transfer excitations DFT survey of monoboron and diboron corroles: regio- and stereochemical preferences for a constrained, low-symmetry macrocycle Electronic Structure of Transition Metal−Isocorrole Complexes: A First Quantum Chemical Study Electronic Absorption and Resonance Raman Signatures of Hyperporphyrins and Nonplanar Porphyrins Sequential deprotonation of meso-(p-hydroxyphenyl)porphyrins in DMF: from hyperporphyrins to sodium porphyrin complexes. Solvent effects on spectrophotometric titrations and vibrational spectroscopy of 5,10,15-triphenyl-20-(4-hydroxyphenyl)porphyrin in aqueous DMF Corrole as a binucleating ligand: preparation, molecular structure and density functional theory study of diboron corroles Copper β-Octakis(trifluoromethyl)corroles: New Paradigms for Ligand Substituent Effects in Transition Metal Complexes
author name string	wds:Q58205583-7C52F962-9179-476E-A3C5-86F88C822EC1 wds:Q58205583-D2341387-7370-4DB2-A5E0-F773C3867A80
author name string	Abhik Ghosh Abraham Alemayehu
rdfs:label	A First TDDFT Study of Metallocorrole Electronic Spectra: Copper meso-Triarylcorroles Exhibit Hyper Spectra (en) A First TDDFT Study of Metallocorrole Electronic Spectra: Copper meso-Triarylcorroles Exhibit Hyper Spectra (nl)
skos:prefLabel	A First TDDFT Study of Metallocorrole Electronic Spectra: Copper meso-Triarylcorroles Exhibit Hyper Spectra (en) A First TDDFT Study of Metallocorrole Electronic Spectra: Copper meso-Triarylcorroles Exhibit Hyper Spectra (nl)
name	A First TDDFT Study of Metallocorrole Electronic Spectra: Copper meso-Triarylcorroles Exhibit Hyper Spectra (en) A First TDDFT Study of Metallocorrole Electronic Spectra: Copper meso-Triarylcorroles Exhibit Hyper Spectra (nl)
author	wds:Q58205583-CD2EA71E-2937-40D0-9DA3-AD309AA243B5
author	Jeanet Conradie
title	wds:Q58205583-4A58BC04-19CC-4A0D-955F-7911DCAC1DF5
title	A First TDDFT Study of Metallocorrole Electronic Spectra: Copper meso-Triarylcorroles Exhibit Hyper Spectra (en)
page(s)	wds:Q58205583-77030F9F-B627-4C2A-8F54-4F81634A0EE7
page(s)	1857-1864
instance of	wds:Q58205583-BB840B89-F4F5-439D-B68F-B9788B194C5A
instance of	scholarly article
main subject	wds:Q58205583-ADB03E17-E24D-4CBD-8FC9-31C2C54A294D
main subject	copper
published in	wds:Q58205583-81E07E09-535A-4B0B-83BB-6335BBCE814C

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