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Brothers, Scott M., Darensbourg, Marcetta Y., Hall, Michael B. (2011) Modeling Structures and Vibrational Frequencies for Dinitrosyl Iron Complexes (DNICs) with Density Functional Theory. Inorganic Chemistry, 50 (17) 8532-8540 doi:10.1021/ic201137t

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Reference TypeJournal (article/letter/editorial)
TitleModeling Structures and Vibrational Frequencies for Dinitrosyl Iron Complexes (DNICs) with Density Functional Theory
JournalInorganic Chemistry
AuthorsBrothers, Scott M.Author
Darensbourg, Marcetta Y.Author
Hall, Michael B.Author
Year2011 (September 5)Volume50
Issue17
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/ic201137tSearch in ResearchGate
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Mindat Ref. ID1567658Long-form Identifiermindat:1:5:1567658:2
GUID0
Full ReferenceBrothers, Scott M., Darensbourg, Marcetta Y., Hall, Michael B. (2011) Modeling Structures and Vibrational Frequencies for Dinitrosyl Iron Complexes (DNICs) with Density Functional Theory. Inorganic Chemistry, 50 (17) 8532-8540 doi:10.1021/ic201137t
Plain TextBrothers, Scott M., Darensbourg, Marcetta Y., Hall, Michael B. (2011) Modeling Structures and Vibrational Frequencies for Dinitrosyl Iron Complexes (DNICs) with Density Functional Theory. Inorganic Chemistry, 50 (17) 8532-8540 doi:10.1021/ic201137t
In(2011, September) Inorganic Chemistry Vol. 50 (17) American Chemical Society (ACS)

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Hsieh, Chung-Hung, Brothers, Scott M., Reibenspies, Joseph H., Hall, Michael B., Popescu, Codrina V., Darensbourg, Marcetta Y. (2013) Ambidentate Thiocyanate and Cyanate Ligands in Dinitrosyl Iron Complexes. Inorganic Chemistry, 52 (4) 2119-2124 doi:10.1021/ic3025149
Hess, Jennifer L., Hsieh, Chung-Hung, Brothers, Scott M., Hall, Michael B., Darensbourg, Marcetta Y. (2011) Self-Assembly of Dinitrosyl Iron Units into Imidazolate-Edge-Bridged Molecular Squares: Characterization Including Mössbauer Spectroscopy. Journal Of The American Chemical Society, 133 (50) 20426-20434 doi:10.1021/ja208384d
Thomas, Christine M., Liu, Tianbiao, Hall, Michael B., Darensbourg, Marcetta Y. (2008) Series of Mixed Valent Fe(II)Fe(I) Complexes That Model the HoxState of [FeFe]Hydrogenase: Redox Properties, Density-Functional Theory Investigation, and Reactivities with Extrinsic CO. Inorganic Chemistry, 47 (15) 7009-7024 doi:10.1021/ic800654a
Hsieh, Chung-Hung, Chupik, Rachel B., Brothers, Scott M., Hall, Michael B., Darensbourg, Marcetta Y. (2011) cis-Dithiolatonickel as metalloligand to dinitrosyl iron units: the di-metallic structure of Ni(μ-SR)[Fe(NO)2] and an unexpected, abbreviated metalloadamantyl cluster, Ni2(μ-SR)4[Fe(NO)2]3. Dalton Transactions, 40 (22). 6047pp. doi:10.1039/c1dt10438a
Pinder, Tiffany A., Montalvo, Steven K., Hsieh, Chung-Hung, Lunsford, Allen M., Bethel, Ryan D., Pierce, Brad S., Darensbourg, Marcetta Y. (2014) Metallodithiolates as Ligands to Dinitrosyl Iron Complexes: Toward the Understanding of Structures, Equilibria, and Spin Coupling. Inorganic Chemistry, 53 (17) 9095-9105 doi:10.1021/ic501117f
Tye, Jesse W., Darensbourg, Marcetta Y., Hall, Michael B. (2006) De Novo Design of Synthetic Di-Iron(I) Complexes as Structural Models of the Reduced Form of Iron−Iron Hydrogenase. Inorganic Chemistry, 45 (4) 1552-1559 doi:10.1021/ic051231f
Tye, Jesse W., Darensbourg, Marcetta Y., Hall, Michael B. (2008) Refining the Active Site Structure of Iron−Iron Hydrogenase Using Computational Infrared Spectroscopy. Inorganic Chemistry, 47 (7) 2380-2388 doi:10.1021/ic7013732
Hess, Jennifer L., Hsieh, Chung-Hung, Reibenspies, Joseph H., Darensbourg, Marcetta Y. (2011) N-Heterocyclic Carbene Ligands as Mimics of Imidazoles/Histidine for the Stabilization of Di- and Trinitrosyl Iron Complexes. Inorganic Chemistry, 50 (17) 8541-8552 doi:10.1021/ic201138f
Pectol, D. Chase, DeLaney, Christopher R., Zhu, Jiyun, Mellott, Drake M., Katzfuss, Ardala, Taylor, Zane W., Meek, Thomas D., Darensbourg, Marcetta Y. (2021) Dinitrosyl iron complexes (DNICs) as inhibitors of the SARS-CoV-2 main protease. Chemical Communications, 57 (67) 8352-8355 doi:10.1039/d1cc03103a
Surawatanawong, Panida, Tye, Jesse W., Darensbourg, Marcetta Y., Hall, Michael B. (2010) Mechanism of electrocatalytic hydrogen production by a di-iron model of iron–iron hydrogenase: A density functional theory study of proton dissociation constants and electrode reduction potentials. Dalton Transactions, 39 (12). 3093pp. doi:10.1039/b925262b
Muhammad, Sohail, Moncho, Salvador, Brothers, Edward N., Darensbourg, Marcetta Y., Darensbourg, Donald J., Bengali, Ashfaq A. (2012) Time Resolved Infrared Spectroscopy: Kinetic Studies of Weakly Binding Ligands in an Iron–Iron Hydrogenase Model Compound. Inorganic Chemistry, 51 (13) 7362-7369 doi:10.1021/ic300785z
 
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