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Bhave, Devayani P., Han, Wen-Ge, Pazicni, Samuel, Penner-Hahn, James E., Carroll, Kate S., Noodleman, Louis (2011) Geometric and Electrostatic Study of the [4Fe-4S] Cluster of Adenosine-5′-Phosphosulfate Reductase from Broken Symmetry Density Functional Calculations and Extended X-ray Absorption Fine Structure Spectroscopy. Inorganic Chemistry, 50 (14) 6610-6625 doi:10.1021/ic200446c

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Reference TypeJournal (article/letter/editorial)
TitleGeometric and Electrostatic Study of the [4Fe-4S] Cluster of Adenosine-5′-Phosphosulfate Reductase from Broken Symmetry Density Functional Calculations and Extended X-ray Absorption Fine Structure Spectroscopy
JournalInorganic Chemistry
AuthorsBhave, Devayani P.Author
Han, Wen-GeAuthor
Pazicni, SamuelAuthor
Penner-Hahn, James E.Author
Carroll, Kate S.Author
Noodleman, LouisAuthor
Year2011 (July 18)Volume50
Issue14
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/ic200446cSearch in ResearchGate
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Mindat Ref. ID1566297Long-form Identifiermindat:1:5:1566297:8
GUID0
Full ReferenceBhave, Devayani P., Han, Wen-Ge, Pazicni, Samuel, Penner-Hahn, James E., Carroll, Kate S., Noodleman, Louis (2011) Geometric and Electrostatic Study of the [4Fe-4S] Cluster of Adenosine-5′-Phosphosulfate Reductase from Broken Symmetry Density Functional Calculations and Extended X-ray Absorption Fine Structure Spectroscopy. Inorganic Chemistry, 50 (14) 6610-6625 doi:10.1021/ic200446c
Plain TextBhave, Devayani P., Han, Wen-Ge, Pazicni, Samuel, Penner-Hahn, James E., Carroll, Kate S., Noodleman, Louis (2011) Geometric and Electrostatic Study of the [4Fe-4S] Cluster of Adenosine-5′-Phosphosulfate Reductase from Broken Symmetry Density Functional Calculations and Extended X-ray Absorption Fine Structure Spectroscopy. Inorganic Chemistry, 50 (14) 6610-6625 doi:10.1021/ic200446c
In(2011, July) Inorganic Chemistry Vol. 50 (14) American Chemical Society (ACS)

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Han, Wen-Ge, Noodleman, Louis (2008) Structural Model Studies for the Peroxo Intermediate P and the Reaction Pathway from P → Q of Methane Monooxygenase Using Broken-Symmetry Density Functional Calculations. Inorganic Chemistry, 47 (8) 2975-2986 doi:10.1021/ic701194b
Han, Wen-Ge, Noodleman, Louis (2011) DFT Calculations for Intermediate and Active States of the Diiron Center with a Tryptophan or Tyrosine Radical inEscherichia coliRibonucleotide Reductase. Inorganic Chemistry, 50 (6) 2302-2320 doi:10.1021/ic1020127
Han, Wen-Ge, Lovell, Timothy, Liu, Tiqing, Noodleman, Louis (2003) A Density Functional Evaluation of an Fe(III)−Fe(IV) Model Diiron Cluster:  Comparisons with Ribonucleotide Reductase Intermediate X. Inorganic Chemistry, 42 (8) 2751-2758 doi:10.1021/ic020465l
Han, Wen-Ge, Noodleman, Louis (2008) Structural model studies for the high-valent intermediate Q of methane monooxygenase from broken-symmetry density functional calculations. Inorganica Chimica Acta, 361 (4). 973-986 doi:10.1016/j.ica.2007.06.007
Du, Wen-Ge Han, Noodleman, Louis (2013) Density Functional Study for the Bridged Dinuclear Center Based on a High-Resolution X-ray Crystal Structure of ba3 Cytochrome c Oxidase from Thermus thermophilus. Inorganic Chemistry, 52 (24) 14072-14088 doi:10.1021/ic401858s
Lovell, Timothy, Han, Wen-Ge, Liu, Tiqing, Noodleman, Louis (2002) A Structural Model for the High-Valent Intermediate Q of Methane Monooxygenase from Broken-Symmetry Density Functional and Electrostatics Calculations. Journal Of The American Chemical Society, 124 (20) 5890-5894 doi:10.1021/ja0121282
Han, Wen-Ge, Giammona, Debra Ann, Bashford, Donald, Noodleman, Louis (2010) Density Functional Theory Analysis of Structure, Energetics, and Spectroscopy for the Mn−Fe Active Site ofChlamydia trachomatisRibonucleotide Reductase in Four Oxidation States. Inorganic Chemistry, 49 (16) 7266-7281 doi:10.1021/ic902051t
Han, Wen-Ge, Liu, Tiqing, Lovell, Timothy, Noodleman, Louis (2005) Active Site Structure of Class I Ribonucleotide Reductase Intermediate X:  A Density Functional Theory Analysis of Structure, Energetics, and Spectroscopy. Journal Of The American Chemical Society, 127 (45) 15778-15790 doi:10.1021/ja050904q
Han, Wen-Ge, Lovell, Timothy, Noodleman, Louis (2002) Coupled Redox Potentials in Manganese and Iron Superoxide Dismutases from Reaction Kinetics and Density Functional/Electrostatics Calculations. Inorganic Chemistry, 41 (2) 205-218 doi:10.1021/ic010355z
Chakrabarti, Mrinmoy, Münck, Eckard, Bominaar, Emile L. (2011) Density Functional Theory Study of an All Ferrous 4Fe-4S Cluster. Inorganic Chemistry, 50 (10) 4322-4326 doi:10.1021/ic102287j
Han, Wen-Ge, Lovell, Timothy, Liu, Tiqing, Noodleman, Louis (2004) Density Functional Study of a μ-1,1-Carboxylate Bridged Fe(III)−O−Fe(IV) Model Complex. 2. Comparison with Ribonucleotide Reductase Intermediate X. Inorganic Chemistry, 43 (2) 613-621 doi:10.1021/ic0206443
 
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