M. Kirk

发表

B. Stein, M. Kirk, 2013 .

Beyond the active-electron approximation: Origin of ferromagnetic exchange in donor–acceptor heterospin biradicals

D. Shultz, M. Kirk, E. C. Depperman, 2005 .

Revisiting the polyoxometalate-based late-transition-metal-oxo complexes: the "oxo wall" stands.

K. Hodgson, T. Koetzle, K. Morokuma, 2012, Inorganic chemistry.

Spectroscopic and electronic structure studies of a dimethyl sulfoxide reductase catalytic intermediate: implications for electron- and atom-transfer reactivity.

R. Hille, B. Stein, M. Kirk, 2011, Journal of the American Chemical Society.

Study of molybdenum(4+) quinoxalyldithiolenes as models for the noninnocent pyranopterin in the molybdenum cofactor.

S. Burgmayer, M. Kirk, Regina P. Mtei, 2011, Inorganic chemistry.

Synthesis, structure, and magnetic properties of a large lanthanide-transition-metal single-molecule magnet.

V. Pecoraro, J. Kampf, M. Kirk, 2004, Angewandte Chemie.

Determining the Conformational Landscape of σ and π Coupling Using para-Phenylene and "Aviram-Ratner" Bridges.

Daniel E. Stasiw, L. Wojtas, Jinyuan Zhang, 2015, Journal of the American Chemical Society.

Isolation of the first ferromagnetically coupled Mn(III/IV) complex.

V. Pecoraro, J. Kampf, M. Kirk, 2003, Chemical communications.

Enhanced Charge Transfer Doping Efficiency in J-Aggregate Poly(3-hexylthiophene) Nanofibers

Alan K. Thomas, J. Grey, J. García, 2015 .

Ligand control of donor-acceptor excited-state lifetimes.

Changjian Feng, D. Shultz, B. Stein, 2014, Inorganic chemistry.

Wave Function Control of Charge-Separated Excited-State Lifetimes.

E. Danilov, D. Shultz, B. Stein, 2019, Journal of the American Chemical Society.

Spectroscopic and electronic structure studies probing covalency contributions to C-H bond activation and transition-state stabilization in xanthine oxidase.

B. Stein, M. Kirk, J. Sempombe, 2011, Inorganic chemistry.

Monooxo Molybdenum(VI) Complexes Possessing Olefinic Dithiolene Ligands: Probing Mo-S Covalency Contributions to Electron Transfer in DMSO Reductase Family Molybdoenzymes

H. Sugimoto, S. Itoh, H. Miyake, 2014 .

A Valence Bond Description of Dizwitterionic Dithiolene Character in an Oxomolybdenum-bis(dithione).

P. Basu, B. Stein, M. Kirk, 2011, European journal of inorganic chemistry.

Spectroscopic characterization of YedY: the role of sulfur coordination in a Mo(V) sulfite oxidase family enzyme form.

J. Weiner, R. Rothery, M. Kirk, 2009, Journal of the American Chemical Society.

Mechanism of molybdate insertion into pterin-based molybdenum cofactors.

D. Rees, R. Mendel, Corinna Probst, 2021, Nature Chemistry.

The Role of the Pyranopterin Dithiolene Component of Moco in Molybdoenzyme Catalysis

S. Burgmayer, M. Kirk, Sharon J. Nieter Burgmayer, 2019, Structure and Bonding.

Ferromagnetic nanoscale electron correlation promoted by organic spin-dependent delocalization.

Hyoyoung Lee, R. Schmidt, Junghyun Lee, 2009, Journal of the American Chemical Society.

Superexchange contributions to distance dependence of electron transfer/transport: exchange and electronic coupling in oligo(para-phenylene)- and oligo(2,5-thiophene)-bridged donor-bridge-acceptor biradical complexes.

Daniel E. Stasiw, P. Boyle, Geoffrey F Lewis, 2013, Journal of the American Chemical Society.

Processing pathway dependence of amorphous silica nanoparticle toxicity: colloidal vs pyrolytic.

Tian Xia, Andre Nel, Huan Meng, 2012, Journal of the American Chemical Society.

Charge Transfer Doping Induced Conformational Ordering of a Non-Crystalline Conjugated Polymer

Alan K. Thomas, Hua Guo, J. Grey, 2017 .

EPR, ENDOR, and Electronic Structure Studies of the Jahn–Teller Distortion in an FeV Nitride

D. Subedi, B. Hoffman, Jeremy M. Smith, 2014, Journal of the American Chemical Society.

Paramagnetic active site models for the molybdenum-copper carbon monoxide dehydrogenase.

C. G. Young, J. White, M. Kirk, 2006, Journal of the American Chemical Society.

Addressing Ligand-Based Redox in Molybdenum-Dependent Methionine Sulfoxide Reductase.

C. A. Johnston, J. Weiner, A. Astashkin, 2020, Journal of the American Chemical Society.

(13)C and (63,65)Cu ENDOR studies of CO dehydrogenase from Oligotropha carboxidovorans. Experimental evidence in support of a copper-carbonyl intermediate.

B. Hoffman, R. Hille, M. Shanmugam, 2013, Journal of the American Chemical Society.

Late Transition Metal-Oxo Compounds and Open-Framework Materials That Catalyze Aerobic Oxidations

K. Hodgson, Daniel A. Hillesheim, D. Musaev, 2009 .

Terminal Gold-Oxo Complexes.

K. Hodgson, T. Koetzle, K. Morokuma, 2007 .

Electronic Structure and Spectroscopy of Manganese Catalase and Di-.mu.-oxo [MnIIIMnIV] Model Complexes

T. Stemmler, D. Gamelin, E. Solomon, 1994 .

Mo and W Cofactors and the Reactions they Catalyze

M. Kirk, K.C. Khadanand, 2021 .

Chalcogenidobis(ene-1,2-dithiolate)molybdenum(IV) complexes (chalcogenide E = O, S, Se): probing Mo≡E and ene-1,2-dithiolate substituent effects on geometric and electronic structure.

Tomoya Kobayashi, H. Sugimoto, S. Itoh, 2011, Dalton transactions.

Structural and spectroscopic characterization of an electrophilic iron nitrido complex.

Jeremy M. Smith, E. Duesler, R. Bontchev, 2008, Journal of the American Chemical Society.

Structural and magnetic effects of successive protonations of oxo bridges in high-valent manganese dimers

V. Pecoraro, T. Stemmler, J. Penner‐Hahn, 1994 .

A Model for the Inhibition of Urease by Hydroxamates

V. Pecoraro, J. Kampf, A. Stemmler, 1995 .

Electronic structure description of the cis-MoOS unit in models for molybdenum hydroxylases.

C. G. Young, C. Doonan, H. Harris, 2008, Journal of the American Chemical Society.

Synthesis and magnetic properties of a metallacryptate that behaves as a single-molecule magnet.

V. Pecoraro, J. Kampf, C. Dendrinou-Samara, 2003, Angewandte Chemie.

Generation and characterization of functional phosphoserine-incorporated neuronal nitric oxide synthase holoenzyme

L. Roman, Huayu Zheng, Changjian Feng, 2018, JBIC Journal of Biological Inorganic Chemistry.

Protonation and Non-Innocent Ligand Behavior in Pyranopterin Dithiolene Molybdenum Complexes.

M. Kirk, Jing Yang, Sharon J. Nieter Burgmayer, 2022, Inorganic chemistry.

Long-range spin dependent delocalization promoted by the pseudo Jahn-Teller effect.

D. Dickie, D. Shultz, B. Stein, 2019, The Journal of chemical physics.

Ground State Nuclear Magnetic Resonance Chemical Shifts Predict Charge-Separated Excited State Lifetimes.

Changjian Feng, C. Richers, D. Shultz, 2018, Inorganic chemistry.

Freeze-Quench Magnetic Circular Dichroism Spectroscopic Study of the "Very Rapid" Intermediate in Xanthine Oxidase.

R. Hille, Frank Inscore, M. Kirk, 1999, Inorganic chemistry.

[5] Bioinorganic spectroscopy

D. Gamelin, E. Solomon, M. Kirk, 1995 .

Spectroscopic studies of bridge contributions to electronic coupling in a donor-bridge-acceptor biradical system.

R. Schmidt, D. Shultz, M. Kirk, 2012, Journal of the American Chemical Society.

Spectroscopic Studies of Mononuclear Molybdenum Enzyme Centers

R. Hille, M. Kirk, 2022, Molecules.

Pyranopterin conformation defines the function of molybdenum and tungsten enzymes

M. Solomonson, J. Weiner, R. Rothery, 2012, Proceedings of the National Academy of Sciences.

Synthesis, characterization, and spectroscopy of model molybdopterin complexes.

Á. Somogyi, S. Burgmayer, A. Williams, 2007, Journal of inorganic biochemistry.

A palladium-oxo complex. Stabilization of this proposed catalytic intermediate by an encapsulating polytungstate ligand.

K. Hodgson, K. Morokuma, D. Musaev, 2005, Journal of the American Chemical Society.

Recent applications of MCD spectroscopy to metalloenzymes.

K. Peariso, M. Kirk, 2003, Current opinion in chemical biology.

Magnetic circular dichroism studies of Mn[Mn(CN)6]

L. Hybl, M. Kirk, N. Rubie, 2001 .

Electronic and exchange coupling in a cross-conjugated D-B-A biradical: mechanistic implications for quantum interference effects.

Daniel E. Stasiw, P. Boyle, D. Shultz, 2013, Journal of the American Chemical Society.

Oxyl and hydroxyl radical transfer in mitochondrial amidoxime reducing component-catalyzed nitrite reduction.

F. Bittner, R. Mendel, L. Giles, 2015, Journal of the American Chemical Society.

Molybdenum Site Structure of MOSC Family Proteins

F. Bittner, R. Mendel, L. Giles, 2014, Inorganic chemistry.

Chromophore-radical excited state antiferromagnetic exchange controls the sign of photoinduced ground state spin polarization

Daniel E. Stasiw, D. Shultz, A. van der Est, 2021, Chemical science.

The [Mn(2)(2-OHsalpn)(2)](2-,-,0,+) System: Synthesis, Structure, Spectroscopy, and Magnetism of the First Structurally Characterized Dinuclear Manganese Series Containing Four Distinct Oxidation States.

V. Pecoraro, J. Kampf, M. Kirk, 1997, Inorganic chemistry.

Structurally diverse manganese(III) Schiff base complexes: chains, dimers, and cages

V. Pecoraro, M. Lah, D. Kessissoglou, 1989 .

A bent mixed-valence manganese(III/II/III) complex: A new class of trinuclear, acetate bridged Schiff's base compounds exhibiting a g = 2 multiline e.s.r. signal

V. Pecoraro, M. Lah, D. Kessissoglou, 1989 .

Isolation of a mixed-valence trinuclear manganese complex potentially relevant to the photosynthetic oxygen evolving complex

V. Pecoraro, C. Bender, Xinhua Li, 1988 .

The Preparation, Characterization, and Magnetism of Copper 15-Metallacrown-5 Lanthanide Complexes.

V. Pecoraro, J. Kampf, A. Stemmler, 1999, Inorganic chemistry.

The tetranuclear cluster FeIII[FeIII(salicylhydroximato)(MeOH)(acetate)]3 is an analogue of M3+(9-crown-3)

V. Pecoraro, M. Lah, W. Hatfield, 1989 .

Identification of a Novel Tetragonally-Compressed Six-Coordinate Copper (II) Complex: Preparation and Characterization of a 3-Chloroanilinium Copper Chloride Complex (3-Chloroanilinium)(8)(CuC1(6)C1(4))

P. White, W. Hatfield, M. Kirk, 1991 .

A novel copper(II) complex containing the ligand 1,2-bis(2,2'-bipyridyl-6-yl)ethane : structural, magnetic, redox, and spectral properties

W. Hatfield, D. Rillema, S. V. Wallendael, 1990 .

Structural and Magnetic Studies of Manganese(II) Complexes of the Imidazole-Containing Ligand 5-NO2-salimH [5-NO2-salimH2 = 4-(2-((5-nitrosalicylidene)amino)ethyl)imidazole] with Varying Nuclearity

V. Pecoraro, J. Kampf, M. Kirk, 1995 .

A Late-Transition Metal Oxo Complex: K7Na9[O=PtIV(H2O)L2], L = [PW9O34]9-

T. Koetzle, K. Morokuma, D. Musaev, 2004, Science.

Effect of cation on the structures, magnetic properties and specific heats of salts of bis(5,6-dihydro-1,4-dithiin-2,3-dithiolato)nickelate(III): the crystal structure of[(CH-3)4N] [Ni(DDDT)2]

W. Hatfield, D. Haase, R. D. Bereman, 1989 .

Ground-state electronic structure of the dimer-of-dimers complex [(Mn2O2)2(tphpn)2]4+ : potential relevance to the photosystem II water oxidation catalyst

M. Chan, E. Solomon, M. Kirk, 1992 .

Single molecule magnet behavior of a pentanuclear Mn-based metallacrown complex: solid state and solution magnetic studies.

W. Wernsdorfer, V. Pecoraro, S. Tricard, 2011, Inorganic chemistry.

Structurally Diverse Manganese(III) Schiff Base Complexes: Chains, Dimers, and Cages.

V. Pecoraro, M. Lah, D. Kessissoglou, 1989 .

Effects of alternation in some quasi‐one‐dimensional magnetic materials

V. Pecoraro, M. Lah, D. Kessissoglou, 1991 .

Using LnIII[15 -MCCuII(N)(S)-pheHA-5]3+ complexes to construct chiral single-molecule magnets and chains of single-molecule magnets

V. Pecoraro, J. Kampf, M. Kirk, 2006 .

Influence of Radical Bridges on Electron Spin Coupling.

C. Herrmann, D. Shultz, M. Kirk, 2017, The journal of physical chemistry. A.

The asymmetric mixed-valent complex {[Mn(2-OH-3,5-Cl2-SALPN)]2(THF)}ClO4 shows a temperature-dependent interconversion between g=2 multiline and low-field EPR signals

V. Pecoraro, R. Sands, W. Hatfield, 1992 .

Assessing the slow magnetic relaxation behavior of Ln(III)(4)Mn(III)(6) metallacrowns.

V. Pecoraro, J. Kampf, T. Mallah, 2007, Inorganic chemistry.

Metallacryptate single-molecule magnets: effect of lower molecular symmetry on blocking temperature.

V. Pecoraro, J. Kampf, C. Dendrinou-Samara, 2005, Journal of the American Chemical Society.

Strong exchange coupling in lanthanide bis-(phthalocyaninato) sandwich compounds

K. Kepler, W. Hatfield, M. Kirk, 1991 .

BIS(Phthalocyaninato) Lanthanide Sandwich Compounds Exhibiting Mixed Valence Ligands

K. Kepler, W. Hatfield, M. Kirk, 1991 .

Cationic control of spin dimensionality in infinite chains of (cation)2[MnIII(salicylate)2(CH3OH)2][MnIII(salicylate)2]

V. Pecoraro, M. Lah, C. Raptopoulou, 1991 .

Isolation of a Mixed-Valence Trinuclear Manganese Complex Potentially Relevant to the Photosynthetic Oxygen-Evolving Complex.

V. Pecoraro, C. Bender, Xinhua Li, 1988 .

Structural and magnetic characterization of trinuclear, mixed-valence manganese acetates

V. Pecoraro, M. Lah, C. Raptopoulou, 1992 .

THE FIRST BINUCLEAR MN(IV) COMPLEX CONTAINING A BRIDGING IMIDAZOLATE LIGAND EXHIBITS UNIQUE EPR SPECTRAL FEATURES

V. Pecoraro, J. Kampf, M. Kirk, 1997 .

Transition metal complexes of donor–acceptor biradicals

D. Shultz, M. Kirk, 2013 .

Trends in metal-biradical exchange interaction for first-row M(II)(nitronyl nitroxide-semiquinone) complexes.

J. Kampf, M. Whangbo, H. Koo, 2003, Journal of the American Chemical Society.

Spin robustness of a new hybrid inorganic-organic high-spin molecule.

D. Shultz, S. Bodnar, M. Kirk, 2001, Journal of the American Chemical Society.

Testing bridge-mediated differences in dinuclear valence tautomeric behavior.

J. Kampf, S. Franzen, S. Lappi, 2006, Inorganic chemistry.

Valence tautomerization and exchange coupling in a cobalt–nitronylnitroxide–semiquinone complex

R. K. Kumar, D. Shultz, M. Kirk, 2005 .

Metal Ion Control of Photoinduced Electron Spin Polarization in Electronic Ground States.

D. Shultz, A. van der Est, M. Kirk, 2021, Journal of the American Chemical Society.

Excited State Magnetic Exchange Interactions Enable Large Spin Polarization Effects.

D. Shultz, B. Stein, M. Kirk, 2018, Journal of the American Chemical Society.

Rules for Magnetic Exchange in Azulene-Bridged Biradicals: Quo Vadis?

D. Shultz, M. Kirk, P. Hewitt, 2021, The Journal of organic chemistry.

Synthesis and EPR characterization of new models for the one-electron reduced molybdenum site of sulfite oxidase.

C. Carrano, K. Peariso, B. Chohan, 2003, Inorganic chemistry.

Origin of Ferromagnetic Exchange Coupling in Donor-Acceptor Biradical Analogues of Charge-Separated Excited States.

D. Shultz, Munendra Yadav, M. Kirk, 2023, Inorganic chemistry.

Excited-State Contributions to Ground-State Properties of Mixed-Valence Dimers: Spectral and Electronic-Structural Studies of [Fe2(OH)3(tmtacn)2]2+ Related to the [Fe2S2]+ Active Sites of Plant-Type Ferredoxins

Edward I. Solomon, Daniel R. Gamelin, Karl Wieghardt, 1996 .

Excited-State Distortions and Electron Delocalization in Mixed-Valence Dimers: Vibronic Analysis of the Near-IR Absorption and Resonance Raman Profiles of [Fe(2)(OH)(3)(tmtacn)(2)](2+).

K. Wieghardt, D. Gamelin, C. Mathonière, 1996, Inorganic chemistry.

First Example of a Mixed Valence MnIIIMnIIMnIII Schiff-Base Polymeric Complex having a Trimeric Repeat Unit. Crystal Structure of [Mn3(HL)2(acetato)2(5-Cl-salicylato)2]n

A. Gourdon, D. Kessissoglou, Frank Inscore, 1995 .

A Novel Copper(II) Complex Containing the Ligand 1,2-Bis(2,2′-bipyridyl-6-yl)ethane: Structural, Magnetic, Redox, and Spectral Properties.

W. Hatfield, D. Rillema, S. V. Wallendael, 1990 .

Control of oxo-molybdenum reduction and ionization potentials by dithiolate donors.

N. Gruhn, M. Kirk, R. McNaughton, 2000, Inorganic chemistry.

Spectroscopic Evidence for a Unique Bonding Interaction in Oxo-Molybdenum Dithiolate Complexes: Implications for σ Electron Transfer Pathways in the Pyranopterin Dithiolate Centers of Enzymes

Frank Inscore, J. Enemark, M. Kirk, 1999 .

A Model for Ferricyanide-Inhibited Sulfite Oxidase.

M. Kirk, M. Helton, 1999, Inorganic chemistry.

Sulfur K-edge spectroscopic investigation of second coordination sphere effects in oxomolybdenum-thiolates: relationship to molybdenum-cysteine covalency and electron transfer in sulfite oxidase.

S. Shadle, E. Duesler, K. Peariso, 2007, Inorganic chemistry.

An analogue system displaying all the important processes of the catalytic cycles involving monooxomolybdenum(VI) and desoxomolybdenum(IV) centers.

S. Mondal, Á. Somogyi, V. Nemykin, 2002, Journal of the American Chemical Society.

The Electronic Structure and Spectroscopy of Metallo‐Dithiolene Complexes

M. Kirk, R. McNaughton, M. Helton, 2004 .

A Model for the Active-Site Formation Process in DMSO Reductase Family Molybdenum Enzymes Involving Oxido-Alcoholato and Oxido-Thiolato Molybdenum(VI) Core Structures.

Kaoru Mieda, T. Ogura, H. Sugimoto, 2016, Inorganic chemistry.

Dioxomolybdenum(VI) complexes with ene-1,2-dithiolate ligands: synthesis, spectroscopy, and oxygen atom transfer reactivity.

H. Sugimoto, S. Itoh, H. Miyake, 2009, Inorganic chemistry.

Monooxomolybdenum(VI) complexes possessing olefinic dithiolene ligands: probing Mo-S covalency contributions to electron transfer in dimethyl sulfoxide reductase family molybdoenzymes.

H. Sugimoto, S. Itoh, H. Miyake, 2010, Inorganic chemistry.

The Oxo-Gate Hypothesis and DMSO Reductase: Implications for a Psuedo-σ Bonding Interaction Involved in Enzymatic Electron Transfer

M. Kirk, R. McNaughton, M. Helton, 2000 .

Large Ligand Folding Distortion in an Oxomolybdenum Donor-Acceptor Complex.

P. Basu, M. Kirk, Jing Yang, 2016, Inorganic chemistry.

Remote Charge Effects on the Oxygen-Atom-Transfer Reactivity and Their Relationship to Molybdenum Enzymes.

M. Kirk, Feifei Li, Amrit Pokhrel, 2019, Inorganic chemistry.

Metal–Dithiolene Bonding Contributions to Pyranopterin Molybdenum Enzyme Reactivity

J. Enemark, M. Kirk, Jing Yang, 2020, Inorganics.

Implications of Pyran Cyclization and Pterin Conformation on Oxidized Forms of the Molybdenum Cofactor.

B. Williams, Douglas R. Gisewhite, S. Burgmayer, 2018, Journal of the American Chemical Society.

Ground and excited state spectral comparisons of models for sulfite oxidase

K. Peariso, M. Kirk, 2004 .

An MCD spectroscopic study of the molybdenum active site in sulfite oxidase: insight into the role of coordinated cysteine.

A. Pacheco, J. McMaster, J. Enemark, 2000, Journal of inorganic biochemistry.

Vibrational Control of Covalency Effects Related to the Active Sites of Molybdenum Enzymes.

D. Lichtenberger, J. Enemark, B. Stein, 2018, Journal of the American Chemical Society.

Vibrational Probes of Molybdenum Cofactor-Protein Interactions in Xanthine Dehydrogenase.

S. Leimkühler, M. Kirk, S. Reschke, 2017, Inorganic chemistry.

Pyranopterin Dithiolene Distortions Relevant to Electron Transfer in Xanthine Oxidase/Dehydrogenase

S. Leimkühler, M. Kirk, Jing Yang, 2014, Inorganic chemistry.

Reaction Coordinate of Pyranopterin Molybdenum Enzymes

M. Kirk, Sushilla Z. Knottenbelt, Abebe Habtegabre, 2011 .

Noninnocent dithiolene ligands: a new oxomolybdenum complex possessing a donor-acceptor dithiolene ligand.

S. Burgmayer, M. Kirk, Regina P. Mtei, 2010, Journal of the American Chemical Society.

Oxo-carboxylato-molybdenum(VI) complexes possessing dithiolene ligands related to the active site of type II DMSOR family molybdoenzymes.

H. Sugimoto, S. Itoh, K. Asano, 2013, Dalton transactions.

Understanding the origin of metal-sulfur vibrations in an oxo-molybdenum dithiolene complex: relevance to sulfite oxidase.

Frank Inscore, J. Enemark, M. Kirk, 2006, Inorganic Chemistry.

Active site architecture reveals coordination sphere flexibility and specificity determinants in a group of closely related molybdoenzymes

Daniel Ellis, A. McEwan, B. Kobe, 2021, The Journal of biological chemistry.

Identification and characterisation of the Volvox carteri Moco carrier protein

J. Krausze, M. Kirk, Thomas W. Hercher, 2020, Bioscience reports.

Excited State Exchange Control of Photoinduced Electron Spin Polarization in Electronic Ground States.

D. Shultz, A. van der Est, M. Kirk, 2022, The journal of physical chemistry letters.

Thermally driven intramolecular charge transfer in an oxo-molybdenum dithiolate complex.

E. Davies, J. McMaster, C. Garner, 2001, Journal of the American Chemical Society.

Oxomolybdenum tetrathiolates with sterically encumbering ligands: modeling the effect of a protein matrix on electronic structure and reduction potentials.

S. Mondal, V. Nemykin, P. Basu, 2005, Inorganic chemistry.

Nature of the oxomolybdenum-thiolate pi-bond: implications for Mo-S bonding in sulfite oxidase and xanthine oxidase.

J. Enemark, M. Kirk, R. McNaughton, 2004, Inorganic chemistry.

Electronic structure studies of oxomolybdenum tetrathiolate complexes: origin of reduction potential differences and relationship to cysteine-molybdenum bonding in sulfite oxidase.

R L McNaughton, A A Tipton, N D Rubie, 2000, Inorganic chemistry.

Active-site stereochemical control of oxygen atom transfer reactivity in sulfite oxidase.

R. Mcnaughton, K. Peariso, M. Kirk, 2002, Journal of the American Chemical Society.

Electronic structure contributions to reactivity in xanthine oxidase family enzymes

B. Stein, M. Kirk, 2014, JBIC Journal of Biological Inorganic Chemistry.

Xanthine oxidase-product complexes probe the importance of substrate/product orientation along the reaction coordinate.

M. Kirk, Jing Yang, C. Dong, 2017, Dalton transactions.

CHAPTER 2:Spectroscopic and Electronic Structure Studies of Mo Model Compounds and Enzymes

M. Kirk, 2016 .

Geometric control of reduction potential in oxomolybdenum centers: implications to the serine coordination in DMSO reductase.

C. Carrano, P. Basu, M. Kirk, 2001, Inorganic chemistry.

Orbital contributions to CO oxidation in Mo-Cu carbon monoxide dehydrogenase.

B. Stein, M. Kirk, 2014, Chemical communications.

Donor-acceptor biradicals as ground state analogues of photoinduced charge separated states.

D. Shultz, M. Kirk, E. C. Depperman, 2007, Journal of the American Chemical Society.

Spectroscopic and kinetic studies of Arabidopsis thaliana sulfite oxidase: nature of the redox-active orbital and electronic structure contributions to catalysis.

B. Hood, R. Mendel, R. Hänsch, 2005, Journal of the American Chemical Society.

Magnetic Circular Dichroism Spectroscopy of Pyranopterin Molybdenum Enzymes

M. Kirk, 2003 .

An electronic structure description of atom and electron transfer in sulfite oxidase

K. Peariso, M. Kirk, 2003 .

Molybdenum and Tungsten Enzymes: Bioinorganic Chemistry

R. Hille, C. Schulzke, M. Kirk, 2016 .

The functional principle of eukaryotic molybdenum insertases.

W. Blankenfeldt, R. Mendel, J. Krausze, 2018, The Biochemical journal.

Magnetism Studies of Bis(acyl)phosphide-Supported Eu3+ and Eu2+ Complexes.

Aaron M. Tondreau, M. Kirk, S. Carpenter, 2022, Inorganic chemistry.

Water-soluble Fe(II)-H2O complex with a weak O-H bond transfers a hydrogen atom via an observable monomeric Fe(III)-OH.

W. Kaminsky, M. Coggins, M. Kirk, 2015, Journal of the American Chemical Society.

Electronic structure contributions to reactivity in xanthine oxidase family enzymes

B. Stein, M. Kirk, 2015, JBIC Journal of Biological Inorganic Chemistry.

Terminal gold-oxo complexes.

K. Hodgson, T. Koetzle, K. Morokuma, 2007, Journal of the American Chemical Society.

Heterospin biradicals provide insight into molecular conductance and rectification† †Electronic supplementary information (ESI) available. CCDC 1526005 and 1526006. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c7sc00073a

L. Wojtas, N. Finney, Jinyuan Zhang, 2017, Chemical science.

Exploiting chemistry and molecular systems for quantum information science

K. B. Whaley, M. Wasielewski, K. Kowalski, 2020, Nature Reviews Chemistry.

Magnetic Exchange Coupling through the Nonalternant Cyclopentadienyl π-System of Ferrocene.

D. Shultz, M. Kirk, P. Hewitt, 2021, Organic letters.

Transferrable property relationships between magnetic exchange coupling and molecular conductance

Jinyuan Zhang, D. Shultz, M. Kirk, 2020, Chemical science.

Spectroscopic Signatures of Resonance Inhibition Reveal Differences in Donor-Bridge and Bridge-Acceptor Couplings.

Daniel E. Stasiw, Jinyuan Zhang, Guangbin Wang, 2020, Journal of the American Chemical Society.

Proposed structure of the first Hypho carbaborane, C3B4H12

N. N. Greenwood, M. A. Fox, R. Greatrex, 1993 .

Active Site Structures of the Escherichia coli N-Hydroxylaminopurine Resistance Molybdoenzyme YcbX.

A. Scheidig, B. Clement, M. Kirk, 2023, Inorganic chemistry.

Ground and Excited State Spectroscopic Probes of [(TMP)Fe(IV)=O]+: The First Magnetic Circular Dichroism Study of a Model Peroxidase Compound I Intermediate

A. Gold, M. Kirk, K. Jayaraj, 1998 .

Mutations in the FMN domain modulate MCD spectra of the heme site in the oxygenase domain of inducible nitric oxide synthase.

Bradley O. Elmore, Changjian Feng, D. Ghosh, 2009, Journal of the American Chemical Society.

Excited State Magneto-Structural Correlations Related to Photoinduced Electron Spin Polarization.

D. Shultz, A. van der Est, M. Kirk, 2022, Journal of the American Chemical Society.

Mutation in the flavin mononucleotide domain modulates magnetic circular dichroism spectra of the iNOS ferric cyano complex in a substrate-specific manner.

Nicolai Lehnert, N. Lehnert, Bradley O. Elmore, 2011, Inorganic chemistry.

Generation and characterization of functional phosphoserine-incorporated neuronal nitric oxide synthase holoenzyme

L. Roman, Huayu Zheng, Changjian Feng, 2018, JBIC Journal of Biological Inorganic Chemistry.

The Oxo Wall Prevails: Investigations of an Example of Pathological Science

K. Hodgson, T. Koetzle, K. Morokuma, 2012 .

Evaluating hydrogen bond interactions in enzymes containing Mn(III)-histidine complexation using manganese-imidazole complexes

V. Pecoraro, J. Kampf, M. Kirk, 2003, JBIC Journal of Biological Inorganic Chemistry.

Single-Photon-Induced Electron Spin Polarization of Two Exchange-Coupled Stable Radicals.

D. Shultz, A. van der Est, M. Kirk, 2022, Journal of the American Chemical Society.

Influence of Ligand Geometry in Bimetallic Ytterbocene Complexes of Bridging Bis(bipyridyl) Ligands

J. Thompson, D. E. Morris, D. Shultz, 2007 .

Proton-fluence dependent magnetic properties of exfoliable quasi-2D van der Waals Cr2Si2Te6 magnet

Jing Yang, C. Petrovic, L. Martinez, 2023, 2303.00824.

Molecular spintronics: a web themed issue.

D. Shultz, M. Kirk, 2014, Chemical Communications.

Molecular Structure of 2,4-Ethanotetraborane(10), B4H8(CH2)2, as Determined by Gas-Phase Electron Diffraction and Ab Initio Computations

N. N. Greenwood, H. Robertson, P. Schleyer, 1994 .

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