@article{https://authors.library.caltech.edu/records/pz2ep-dyv38, title = "Mechanisms of Photoredox Catalysis Featuring Nickel–Bipyridine Complexes", journal = "ACS Catalysis", year = "2024", url = "https://authors.library.caltech.edu/records/pz2ep-dyv38", id = "record", issn = "2155-5435", volume = "14", pmcid = "PMC11165457" } @article{https://authors.library.caltech.edu/records/zgfwz-wac18, title = "Alternant Hydrocarbon Diradicals as Optically Addressable Molecular Qubits", journal = "Journal of the American Chemical Society", year = "2024", url = "https://authors.library.caltech.edu/records/zgfwz-wac18", id = "record", issn = "0002-7863", doi = "10.1021/jacs.4c04360", volume = "146" } @article{https://authors.library.caltech.edu/records/g0z8x-2m475, title = "Ultrafast Photophysics of Ni(I)–Bipyridine Halide Complexes: Spanning the Marcus Normal and Inverted Regimes", journal = "Journal of the American Chemical Society", year = "2024", url = "https://authors.library.caltech.edu/records/g0z8x-2m475", id = "record", issn = "0002-7863", doi = "10.1021/jacs.4c04091", volume = "146", pmcid = "PMC11157544" } @article{https://authors.library.caltech.edu/records/9rr6x-yxa95, title = "Observing Long-Lived Photogenerated Holes in Cobalt Oxyhydroxide Oxygen Evolution Catalysts", journal = "ACS Applied Energy Materials", year = "2024", url = "https://authors.library.caltech.edu/records/9rr6x-yxa95", id = "record", issn = "2574-0962", doi = "10.1021/acsaem.3c03269", volume = "7" } @article{https://authors.library.caltech.edu/records/2cd80-e1q66, title = "Changes in an enzyme ensemble during catalysis observed by high-resolution XFEL crystallography", journal = "Science Advances", year = "2024", url = "https://authors.library.caltech.edu/records/2cd80-e1q66", id = "record", issn = "2375-2548", doi = "10.1126/sciadv.adk7201", volume = "10", pmcid = "PMC10971408" } @article{https://authors.library.caltech.edu/records/kkw9a-6qg42, title = "Light Activation and Photophysics of a Structurally Constrained Nickel(II)–Bipyridine Aryl Halide Complex", journal = "Inorganic Chemistry", year = "2024", url = "https://authors.library.caltech.edu/records/kkw9a-6qg42", id = "record", issn = "0020-1669", doi = "10.1021/acs.inorgchem.3c03822", volume = "63", pmcid = "PMC11000520" } @article{https://authors.library.caltech.edu/records/7wwm7-sp505, title = "Determining the key vibrations for spin relaxation in ruffled Cu(II) porphyrins via resonance Raman spectroscopy", journal = "Chemical Science", year = "2024", url = "https://authors.library.caltech.edu/records/7wwm7-sp505", id = "record", issn = "2041-6520", doi = "10.1039/d3sc05774g", volume = "15", pmcid = "PMC10866354" } @article{https://authors.library.caltech.edu/records/3fr0b-r3r52, title = "T₁ Anisotropy Elucidates Spin Relaxation Mechanisms in an S = 1 Cr(IV) Optically Addressable Molecular Qubit", journal = "Journal of Physical Chemistry Letters", year = "2023", url = "https://authors.library.caltech.edu/records/3fr0b-r3r52", id = "record", issn = "1948-7185", doi = "10.1021/acs.jpclett.3c01964", volume = "14" } @article{https://authors.library.caltech.edu/records/5v97q-b4c50, title = "Electronic Structures of Nickel(II)-Bis(indanyloxazoline)-dihalide Catalysts: Understanding Ligand Field Contributions That Promote C(sp²)–C(sp³) Cross-Coupling", journal = "Inorganic Chemistry", year = "2023", url = "https://authors.library.caltech.edu/records/5v97q-b4c50", id = "record", issn = "0020-1669", doi = "10.1021/acs.inorgchem.3c02048", volume = "62", pmcid = "PMC10530056" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20230710-599244800.28, title = "Mechanistic Investigation of Ni-Catalyzed Reductive Cross-Coupling of Alkenyl and Benzyl Electrophiles", journal = "Journal of the American Chemical Society", year = "2023", url = "https://resolver.caltech.edu/CaltechAUTHORS:20230710-599244800.28", id = "record", issn = "0002-7863", doi = "10.1021/jacs.3c02649", volume = "145", pmcid = "PMC10347553" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20230725-856902000.17, title = "Photogenerated Ni(I)–Bipyridine Halide Complexes: Structure–Function Relationships for Competitive C(sp²)–Cl Oxidative Addition and Dimerization Reactivity Pathways", journal = "Inorganic Chemistry", year = "2023", url = "https://resolver.caltech.edu/CaltechAUTHORS:20230725-856902000.17", id = "record", issn = "0020-1669", doi = "10.1021/acs.inorgchem.3c00917", volume = "62", pmcid = "PMC10330939" } @other{https://resolver.caltech.edu/CaltechAUTHORS:20230324-457164000.12, title = "Photogenerated Ni(I)–Bipyridine Halide Complexes: Structure-Function Relationships for Competitive C(sp²)–Cl Oxidative Addition and Dimerization Reactivity Pathways", year = "2023", url = "https://resolver.caltech.edu/CaltechAUTHORS:20230324-457164000.12", id = "record", doi = "10.26434/chemrxiv-2023-crhs5" } @article{https://authors.library.caltech.edu/records/vpt1p-54010, title = "Boronated Cyanometallates", journal = "Inorganic Chemistry", year = "2023", url = "https://authors.library.caltech.edu/records/vpt1p-54010", id = "record", issn = "0020-1669", doi = "10.1021/acs.inorgchem.2c03066", volume = "62" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20230125-514949300.25, title = "μ-Oxo Dimerization Effects on Ground- and Excited-State Properties of a Water-Soluble Iron Porphyrin CO₂ Reduction Catalyst", journal = "Inorganic Chemistry", year = "2022", url = "https://resolver.caltech.edu/CaltechAUTHORS:20230125-514949300.25", id = "record", issn = "0020-1669", doi = "10.1021/acs.inorgchem.2c03215", volume = "61" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20221128-494241100.49, title = "Illuminating Ligand Field Contributions to Molecular Qubit Spin Relaxation via T₁ Anisotropy", journal = "Journal of the American Chemical Society", year = "2022", url = "https://resolver.caltech.edu/CaltechAUTHORS:20221128-494241100.49", id = "record", issn = "0002-7863", doi = "10.1021/jacs.2c08729", volume = "144" } @other{https://resolver.caltech.edu/CaltechAUTHORS:20220726-998148000, title = "Boronated Cyanometallates", year = "2022", url = "https://resolver.caltech.edu/CaltechAUTHORS:20220726-998148000", id = "record", doi = "10.26434/chemrxiv-2022-8r90r" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20220406-18315469, title = "Elucidating the Mechanism of Excited-State Bond Homolysis in Nickel–Bipyridine Photoredox Catalysts", journal = "Journal of the American Chemical Society", year = "2022", url = "https://resolver.caltech.edu/CaltechAUTHORS:20220406-18315469", id = "record", issn = "0002-7863", doi = "10.1021/jacs.2c01356", volume = "144", pmcid = "PMC9979631" } @other{https://resolver.caltech.edu/CaltechAUTHORS:20211209-231174000, title = "Elucidating the Mechanism of Excited State Bond Homolysis in Nickel–Bipyridine Photoredox Catalysts", year = "2021", url = "https://resolver.caltech.edu/CaltechAUTHORS:20211209-231174000", id = "record", doi = "10.26434/chemrxiv-2021-g0dc2" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20210513-100749414, title = "The Impact of Ligand Field Symmetry on Molecular Qubit Coherence", journal = "Journal of the American Chemical Society", year = "2021", url = "https://resolver.caltech.edu/CaltechAUTHORS:20210513-100749414", id = "record", issn = "0002-7863", doi = "10.1021/jacs.1c04605", volume = "143" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20210423-082824488, title = "Photohalogen elimination chemistry in low-valent binuclear nickel complexes", journal = "Polyhedron", year = "2021", url = "https://resolver.caltech.edu/CaltechAUTHORS:20210423-082824488", id = "record", issn = "0277-5387", doi = "10.1016/j.poly.2021.115228", volume = "203" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20210709-180849558, title = "Detection of high-valent iron species in alloyed oxidic cobaltates for catalysing the oxygen evolution reaction", journal = "Nature Communications", year = "2021", url = "https://resolver.caltech.edu/CaltechAUTHORS:20210709-180849558", id = "record", issn = "2041-1723", doi = "10.1038/s41467-021-24453-6", volume = "12" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20210416-082713543, title = "Deconvolving Contributions to Decoherence in Molecular Electron Spin Qubits: A Dynamic Ligand Field Approach", journal = "Chemistry: a European Journal", year = "2021", url = "https://resolver.caltech.edu/CaltechAUTHORS:20210416-082713543", id = "record", issn = "0947-6539", doi = "10.1002/chem.202100845", volume = "27" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20210625-220045705, title = "Electrochemical Nozaki–Hiyama–Kishi Coupling: Scope, Applications, and Mechanism", journal = "Journal of the American Chemical Society", year = "2021", url = "https://resolver.caltech.edu/CaltechAUTHORS:20210625-220045705", id = "record", issn = "0002-7863", doi = "10.1021/jacs.1c03007", volume = "143", pmcid = "PMC8720499" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20210223-105233904, title = "Short-lived metal-centered excited state initiates iron-methionine photodissociation in ferrous cytochrome c", journal = "Nature Communications", year = "2021", url = "https://resolver.caltech.edu/CaltechAUTHORS:20210223-105233904", id = "record", issn = "2041-1723", doi = "10.1038/s41467-021-21423-w", volume = "12" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20200925-135425759, title = "Multireference Description of Nickel-Aryl Homolytic Bond Dissociation Processes in Photoredox Catalysis", journal = "Journal of Physical Chemistry A", year = "2020", url = "https://resolver.caltech.edu/CaltechAUTHORS:20200925-135425759", id = "record", issn = "1089-5639", doi = "10.1021/acs.jpca.0c08646", volume = "124" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20200728-104820571, title = "Controlling Singlet Fission with Coordination Chemistry-Induced Assembly of Dipyridyl Pyrrole Bipentacenes", journal = "ACS Central Science", year = "2020", url = "https://resolver.caltech.edu/CaltechAUTHORS:20200728-104820571", id = "record", issn = "2374-7943", doi = "10.1021/acscentsci.0c01044", volume = "6", pmcid = "PMC7706079" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20201028-153430407, title = "Understanding Covalent versus Spin–Orbit Coupling Contributions to Temperature-Dependent Electron Spin Relaxation in Cupric and Vanadyl Phthalocyanines", journal = "Journal of Physical Chemistry A", year = "2020", url = "https://resolver.caltech.edu/CaltechAUTHORS:20201028-153430407", id = "record", issn = "1089-5639", doi = "10.1021/acs.jpca.0c07860", volume = "124" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20200626-103612516, title = "Electronic Structures, Spectroscopy, and Electrochemistry of [M(diimine)(CN-BR₃)₄]²⁻ (M = Fe, Ru; R = Ph, C₆F₅) Complexes", journal = "Inorganic Chemistry", year = "2020", url = "https://resolver.caltech.edu/CaltechAUTHORS:20200626-103612516", id = "record", issn = "0020-1669", doi = "10.1021/acs.inorgchem.0c00632", volume = "59" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20200708-071419168, title = "Template-stabilized oxidic nickel oxygen evolution catalysts", journal = "Proceedings of the National Academy of Sciences of the United States of America", year = "2020", url = "https://resolver.caltech.edu/CaltechAUTHORS:20200708-071419168", id = "record", issn = "0027-8424", doi = "10.1073/pnas.2001529117", volume = "117", pmcid = "PMC7368284" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20200129-130658853, title = "Multireference Ground and Excited State Electronic Structures of Free- versus Iron Porphyrin-Carbenes", journal = "Inorganic Chemistry", year = "2020", url = "https://resolver.caltech.edu/CaltechAUTHORS:20200129-130658853", id = "record", issn = "0020-1669", doi = "10.1021/acs.inorgchem.0c00249", volume = "59" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20200303-160403611, title = "Spin-Phonon Coupling and Dynamic Zero-Field Splitting Contributions to Spin Conversion Processes in Iron(II) Complexes", journal = "Journal of Chemical Physics", year = "2020", url = "https://resolver.caltech.edu/CaltechAUTHORS:20200303-160403611", id = "record", issn = "0021-9606", doi = "10.1063/5.0006361", volume = "152" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20191105-101953113, title = "The Dynamic Ligand Field of a Molecular Qubit: Decoherence Through Spin–Phonon Coupling", journal = "Physical Chemistry Chemical Physics", year = "2020", url = "https://resolver.caltech.edu/CaltechAUTHORS:20191105-101953113", id = "record", issn = "1463-9076", doi = "10.1039/D0CP00852D", volume = "22" } @other{https://resolver.caltech.edu/CaltechAUTHORS:20200219-080627080, title = "Dynamic ligand fields of molecular qubits: Decoherence through spin-phonon coupling", year = "2020", url = "https://resolver.caltech.edu/CaltechAUTHORS:20200219-080627080", id = "record" } @other{https://resolver.caltech.edu/CaltechAUTHORS:20200219-150326751, title = "Influencing singlet fission via coordination chemistry in 2,5-di(2-pyridyl)pyrrole-linked bipentacenes", year = "2020", url = "https://resolver.caltech.edu/CaltechAUTHORS:20200219-150326751", id = "record" } @other{https://resolver.caltech.edu/CaltechAUTHORS:20200219-080934341, title = "Dynamic ligand fields in qubits", year = "2020", url = "https://resolver.caltech.edu/CaltechAUTHORS:20200219-080934341", id = "record" } @other{https://resolver.caltech.edu/CaltechAUTHORS:20200219-082952709, title = "Quantifying entatic states in photophysical processes: Applications to copper photosensitizers", year = "2020", url = "https://resolver.caltech.edu/CaltechAUTHORS:20200219-082952709", id = "record" } @other{https://resolver.caltech.edu/CaltechAUTHORS:20200219-084759545, title = "Photophysical entatic states in transition metal complexes for solar energy conversion", year = "2020", url = "https://resolver.caltech.edu/CaltechAUTHORS:20200219-084759545", id = "record" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20191120-075819004, title = "Copper-Catalyzed Enantioselective Allylic Alkylation with a γ-Butyrolactone-Derived Silyl Ketene Acetal", journal = "Angewandte Chemie International Edition", year = "2020", url = "https://resolver.caltech.edu/CaltechAUTHORS:20191120-075819004", id = "record", issn = "1433-7851", doi = "10.1002/anie.201912618", volume = "59", pmcid = "PMC7051182" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20191126-105444590, title = "Quantifying Entatic States in Photophysical Processes: Applications to Copper Photosensitizers", journal = "Inorganic Chemistry", year = "2019", url = "https://resolver.caltech.edu/CaltechAUTHORS:20191126-105444590", id = "record", issn = "0020-1669", doi = "10.1021/acs.inorgchem.9b02976", volume = "58" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20181115-101001408, title = "Mechanism of selective benzene hydroxylation catalyzed by iron-containing zeolites", journal = "Proceedings of the National Academy of Sciences of the United States of America", year = "2018", url = "https://resolver.caltech.edu/CaltechAUTHORS:20181115-101001408", id = "record", issn = "0027-8424", doi = "10.1073/pnas.1813849115", volume = "115", pmcid = "PMC6275498" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20200410-115330197, title = "The Nature of the Long-Lived Excited State in a Ni^(II) Phthalocyanine Complex Investigated by X-Ray Transient Absorption Spectroscopy", journal = "ChemSusChem", year = "2018", url = "https://resolver.caltech.edu/CaltechAUTHORS:20200410-115330197", id = "record", issn = "1864-5631", doi = "10.1002/cssc.201800777", volume = "11" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20180612-093858300, title = "Excited state electron and energy relays in supramolecular dinuclear complexes revealed by ultrafast optical and X-ray transient absorption spectroscopy", journal = "Chemical Science", year = "2018", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-093858300", id = "record", issn = "2041-6520", doi = "10.1039/C7SC04055E", volume = "9", pmcid = "PMC5873173" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20180619-090044704, title = "High-valent states in cobalt and nickel oxygen-evolving catalysts and their role in O—O bond formation", journal = "Acta Crystallographica. Section A, Foundations of Crystallography", year = "2017", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180619-090044704", id = "record", issn = "0108-7673", volume = "73" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20180612-141349167, title = "Synthesis, structure, and excited state kinetics of heteroleptic Cu(I) complexes with a new sterically demanding phenanthroline ligand", journal = "Dalton Transactions", year = "2017", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-141349167", id = "record", issn = "1477-9226", doi = "10.1039/c7dt02476b", volume = "46" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20180612-074847743, title = "Ultrafast dynamics of two copper bis-phenanthroline complexes measured by x-ray transient absorption spectroscopy", journal = "Journal of Physics B: Atomic, Molecular and Optical Physics", year = "2017", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-074847743", id = "record", issn = "0953-4075", doi = "10.1088/1361-6455/aa7b97", volume = "50" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20180612-100432522, title = "Ligand manipulation of charge transfer excited state relaxation and spin crossover in [Fe(2,2'-bipyridine)\_2(CN)\_2]", journal = "Structural Dynamics", year = "2017", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-100432522", id = "record", issn = "2329-7778", doi = "10.1063/1.4985017", volume = "4", pmcid = "PMC5461172" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20180612-094721524, title = "Metalloprotein entatic control of ligand-metal bonds quantified by ultrafast x-ray spectroscopy", journal = "Science", year = "2017", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-094721524", id = "record", issn = "0036-8075", doi = "10.1126/science.aam6203", volume = "356", pmcid = "PMC5706643" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20180612-101929196, title = "In situ characterization of cofacial Co(IV) centers in Co\_4O\_4 cubane: Modeling the high-valent active site in oxygen-evolving catalysts", journal = "Proceedings of the National Academy of Sciences of the United States of America", year = "2017", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-101929196", id = "record", issn = "0027-8424", doi = "10.1073/pnas.1701816114", volume = "114", pmcid = "PMC5393202" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20180612-082036774, title = "Influence of iron doping on tetravalent nickel content in catalytic oxygen evolving films", journal = "Proceedings of the National Academy of Sciences of the United States of America", year = "2017", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-082036774", id = "record", issn = "0027-8424", doi = "10.1073/pnas.1620787114", volume = "114", pmcid = "PMC5321006" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20180612-103705875, title = "Manipulating charge transfer excited state relaxation and spin crossover in iron coordination complexes with ligand substitution", journal = "Chemical Science", year = "2017", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-103705875", id = "record", issn = "2041-6520", doi = "10.1039/c6sc03070j", volume = "8", pmcid = "PMC5341207" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20180612-143751095, title = "Electronic and nuclear contributions to time-resolved optical and X-ray absorption spectra of hematite and insights into photoelectrochemical performance", journal = "Energy and Environmental Science", year = "2016", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-143751095", id = "record", issn = "1754-5692", doi = "10.1039/C6EE02266A", volume = "2016" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20180612-105511400, title = "Activating Metal Sites for Biological Electron Transfer", journal = "Israel Journal of Chemistry", year = "2016", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-105511400", id = "record", issn = "0021-2148", doi = "10.1002/ijch.201600016", volume = "56", pmcid = "PMC5517049" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20180612-142321731, title = "X-ray Spectroscopic Characterization of Co(IV) and Metal-Metal Interactions in Co\_4O\_4: Electronic Structure Contributions to the Formation of High-Valent States Relevant to the Oxygen Evolution Reaction", journal = "Journal of the American Chemical Society", year = "2016", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-142321731", id = "record", issn = "0002-7863", doi = "10.1021/jacs.6b04663", volume = "138" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20180612-081256898, title = "Photocatalysts Based on Cobalt-Chelating Conjugated Polymers for Hydrogen Evolution from Water", journal = "Chemistry of Materials", year = "2016", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-081256898", id = "record", issn = "0897-4756", doi = "10.1021/acs.chemmater.6b01477", volume = "28" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20180612-080212389, title = "Halogen Photoelimination from Monomeric Nickel(III) Complexes Enabled by the Secondary Coordination Sphere", journal = "Organometallics", year = "2015", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-080212389", id = "record", issn = "0276-7333", doi = "10.1021/acs.organomet.5b00568", volume = "34" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20180612-143806306, title = "Trap-Free Halogen Photoelimination from Mononuclear Ni(III) Complexes", journal = "Journal of the American Chemical Society", year = "2015", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-143806306", id = "record", issn = "0002-7863", doi = "10.1021/jacs.5b03192", volume = "137" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20180612-144351445, title = "Spectroscopic definition of the copper active sites in mordenite: selective methane oxidation", journal = "Journal of the American Chemical Society", year = "2015", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-144351445", id = "record", issn = "0002-7863", doi = "10.1021/jacs.5b02817", volume = "137" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20180612-110306586, title = "Resonant inelastic X-ray scattering on ferrous and ferric bis-imidazole porphyrin and cytochrome c: nature and role of the axial methionine-Fe bond", journal = "Journal of the American Chemical Society", year = "2014", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-110306586", id = "record", issn = "0002-7863", doi = "10.1021/ja5100367", volume = "136", pmcid = "PMC4291809" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20180612-111103819, title = "Anisotropic covalency contributions to superexchange pathways in type one copper active sites", journal = "Journal of the American Chemical Society", year = "2014", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-111103819", id = "record", issn = "0002-7863", doi = "10.1021/ja508361h", volume = "136", pmcid = "PMC4210080" } @other{https://resolver.caltech.edu/CaltechAUTHORS:20180612-073202981, title = "Reactive intermediates in Cu MOR zeolites for alkane oxidation", year = "2014", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-073202981", id = "record" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20180612-111659936, title = "Efficient C-H Bond Activations O\_2 Cleavage by a Dianionic Cobalt(II) Complex", journal = "Chemical Science", year = "2014", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-111659936", id = "record", issn = "2041-6520", doi = "10.1039/C4SC00108G", volume = "5", pmcid = "PMC4111274" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20180612-112437637, title = "Tracking excited-state charge and spin dynamics in iron coordination complexes", journal = "Nature", year = "2014", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-112437637", id = "record", issn = "0028-0836", doi = "10.1038/nature13252", volume = "509", pmcid = "PMC5668134" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20180612-113703018, title = "Copper active sites in biology", journal = "Chemical Reviews", year = "2014", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-113703018", id = "record", issn = "0009-2665", doi = "10.1021/cr400327t", volume = "114", pmcid = "PMC4040215" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20180612-145030835, title = "[Cu\_2O]^(2+) active site formation in Cu-ZSM-5: geometric and electronic structure requirements for N\_2O activation", journal = "Journal of the American Chemical Society", year = "2014", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-145030835", id = "record", issn = "0002-7863", doi = "10.1021/ja4113808", volume = "136" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20180612-114523845, title = "Copper-sulfenate complex from oxidation of a cavity mutant of Pseudomonas aeruginosa azurin", journal = "Proceedings of the National Academy of Sciences of the United States of America", year = "2014", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-114523845", id = "record", issn = "0027-8424", doi = "10.1073/pnas.1316483111", volume = "111", pmcid = "PMC3903256" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20180612-145906146, title = "Spectroscopy and redox chemistry of copper in mordenite", journal = "ChemPhysChem", year = "2014", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-145906146", id = "record", issn = "1439-4235", doi = "10.1002/cphc.201300730", volume = "15" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20180612-125104163, title = "Axial interactions in the mixed-valent Cu\_A active site and role of the axial methionine in electron transfer", journal = "Proceedings of the National Academy of Sciences of the United States of America", year = "2013", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-125104163", id = "record", issn = "0027-8424", doi = "10.1073/pnas.1314242110", volume = "110", pmcid = "PMC3767567" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20180612-125943278, title = "Spectroscopic and DFT studies of second-sphere variants of the type 1 copper site in azurin: covalent and nonlocal electrostatic contributions to reduction potentials", journal = "Journal of the American Chemical Society", year = "2012", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-125943278", id = "record", issn = "0002-7863", doi = "10.1021/ja306438n", volume = "134", pmcid = "PMC3506006" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20180612-150514757, title = "Analysis of resonance Raman data on the blue copper site in pseudoazurin: excited state π and σ charge transfer distortions and their relation to ground state reorganization energy", journal = "Journal of Inorganic Biochemistry", year = "2012", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-150514757", id = "record", issn = "0162-0134", doi = "10.1016/j.jinorgbio.2012.03.006", volume = "115" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20180612-134152515, title = "Bilirubin oxidase from Bacillus pumilus: a promising enzyme for the elaboration of efficient cathodes in biofuel cells", journal = "Biosensors \& Bioelectronics", year = "2012", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-134152515", id = "record", issn = "1873-4235", doi = "10.1016/j.bios.2012.02.033", volume = "35", pmcid = "PMC3724473" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20180612-134854687, title = "Cu-ZSM-5: A biomimetic inorganic model for methane oxidation", journal = "Journal of Catalysis", year = "2011", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-134854687", id = "record", issn = "0021-9517", doi = "10.1016/j.jcat.2011.10.009", volume = "284", pmcid = "PMC3593946" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20180612-154059709, title = "Interpretation of the UV-vis spectra of the meso(ferrocenyl)-containing porphyrins using a TDDFT approach: is Gouterman's classic four-orbital model still in play?", journal = "Journal of Physical Chemistry A", year = "2010", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-154059709", id = "record", issn = "1089-5639", doi = "10.1021/jp1083828", volume = "114" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20180612-135652810, title = "Oxygen precursor to the reactive intermediate in methanol synthesis by Cu-ZSM-5", journal = "Journal of the American Chemical Society", year = "2010", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-135652810", id = "record", issn = "0002-7863", doi = "10.1021/ja106283u", volume = "132", pmcid = "PMC2974621" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20180612-154650771, title = "Long-range electronic communication in free-base meso-poly(ferrocenyl)-containing porphyrins", journal = "Inorganic Chemistry", year = "2010", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-154650771", id = "record", issn = "0020-1669", doi = "10.1021/ic101012a", volume = "49" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20180612-140553392, title = "Comparative calculation of EPR spectral parameters in [Mo^VOX\_4]^-, [Mo^VOX\_5]^(2-), and [Mo^VOX\_4(H\_2O)]^- complexes", journal = "Physical Chemistry Chemical Physics", year = "2009", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-140553392", id = "record", issn = "1463-9076", doi = "10.1039/b905554a", volume = "11", pmcid = "PMC2879133" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20180612-155637465, title = "Electron-transfer processes in metal-free tetraferrocenylporphyrin. Understanding internal interactions to access mixed-valence States potentially useful for quantum cellular automata", journal = "Journal of the American Chemical Society", year = "2009", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-155637465", id = "record", issn = "0002-7863", doi = "10.1021/ja905310h", volume = "131" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20180612-155638279, title = "A variable temperature spectroscopic study on Paracoccus pantotrophus pseudoazurin: protein constraints on the blue Cu site", journal = "Journal of Inorganic Biochemistry", year = "2009", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-155638279", id = "record", issn = "0162-0134", doi = "10.1016/j.jinorgbio.2009.04.012", volume = "103" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20180612-155639069, title = "Exploring the ground and excited state potential energy landscapes of the mixed-valence biferrocenium complex", journal = "Inorganic Chemistry", year = "2009", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-155639069", id = "record", issn = "0020-1669", doi = "10.1021/ic801801m", volume = "48" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20180612-161521832, title = "Metal-free and transition-metal tetraferrocenylporphyrins part 1: synthesis, characterization, electronic structure, and conformational flexibility of neutral compounds", journal = "Dalton Transactions", year = "2008", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-161521832", id = "record", issn = "1477-9226", doi = "10.1039/b805156a", volume = "2008" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20180612-161522631, title = "Influence of molecular geometry, exchange-correlation functional, and solvent effects in the modeling of vertical excitation energies in phthalocyanines using time-dependent density functional theory (TDDFT) and polarized continuum model TDDFT methods: can modern computational chemistry methods explain experimental controversies?", journal = "Journal of Physical Chemistry A", year = "2007", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-161522631", id = "record", issn = "1089-5639", doi = "10.1021/jp0759731", volume = "111" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20180612-161523450, title = "Preparation, characterization, molecular and electronic structures, TDDFT, and TDDFT/PCM study of the solvatochromism in cyanovinylferrocenes", journal = "Inorganic Chemistry", year = "2007", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-161523450", id = "record", issn = "0020-1669", doi = "10.1021/ic700558v", volume = "46" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20180612-161525030, title = "Mixed-valence states formation in conformationally flexible metal-free 5,10,15,20-tetraferrocenylporphyrin and 5,10-bisferrocenyl-15,20-bisphenylporphyrin", journal = "Dalton Transactions", year = "2007", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-161525030", id = "record", issn = "1477-9226", doi = "10.1039/b703581k", volume = "2007" } @article{https://resolver.caltech.edu/CaltechAUTHORS:20180612-161524242, title = "Influence of Hartree-Fock exchange on the calculated Mössbauer isomer shifts and quadrupole splittings in ferrocene derivatives using density functional theory", journal = "Inorganic Chemistry", year = "2006", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-161524242", id = "record", issn = "0020-1669", doi = "10.1021/ic061176q", volume = "45" }