@article {CaltechAUTHORS_https://authors.library.caltech.edu/id/eprint/118087, title ="Illuminating Ligand Field Contributions to Molecular Qubit Spin Relaxation via T₁ Anisotropy", author = "Kazmierczak, Nathanael P. and Hadt, Ryan G.", journal = "Journal of the American Chemical Society", volume = "144", number = "45", pages = "20804-20814", month = "November", year = "2022", doi = "https://doi.org/10.1021/jacs.2c08729", url = "https://resolver.caltech.edu/CaltechAUTHORS:20221128-494241100.49", } @article {CaltechAUTHORS_https://authors.library.caltech.edu/id/eprint/115868, title ="Boronated Cyanometallates", author = "McNicholas, Brendon J. and Nie, Cherish and Jose, Anex and Oyala, Paul H. and Takase, Michael K. and Henling, Larry M. and Barth, Alexandra T. and Amaolo, Alessio and Hadt, Ryan G. and Solomon, Edward I. and Winkler, Jay R. and Gray, Harry B. and Despagnet-Ayoub, Emmanuelle", month = "July", year = "2022", url = "https://resolver.caltech.edu/CaltechAUTHORS:20220726-998148000", } @article {CaltechAUTHORS_https://authors.library.caltech.edu/id/eprint/114168, title ="Elucidating the Mechanism of Excited-State Bond Homolysis in Nickel–Bipyridine Photoredox Catalysts", author = "Cagan, David A. and Bím, Daniel and Silva, Breno and Kazmierczak, Nathanael P. and McNicholas, Brendon J. and Hadt, Ryan G.", journal = "Journal of the American Chemical Society", volume = "144", number = "14", pages = "6516-6531", month = "April", year = "2022", doi = "https://doi.org/10.1021/jacs.2c01356", url = "https://resolver.caltech.edu/CaltechAUTHORS:20220406-18315469", } @article {CaltechAUTHORS_https://authors.library.caltech.edu/id/eprint/112351, title ="Elucidating the Mechanism of Excited State Bond Homolysis in Nickel–Bipyridine Photoredox Catalysts", author = "Cagan, David A. and Bím, Daniel and Silva, Breno and Kazmierczak, Nathanael P. and McNicholas, Brendon and Hadt, Ryan G.", month = "November", year = "2021", url = "https://resolver.caltech.edu/CaltechAUTHORS:20211209-231174000", } @article {CaltechAUTHORS_https://authors.library.caltech.edu/id/eprint/109111, title ="The Impact of Ligand Field Symmetry on Molecular Qubit Coherence", author = "Kazmierczak, Nathanael P. and Mirzoyan, Ruben and Hadt, Ryan G.", journal = "Journal of the American Chemical Society", volume = "143", number = "42", pages = "17305-17315", month = "October", year = "2021", doi = "https://doi.org/10.1021/jacs.1c04605", url = "https://resolver.caltech.edu/CaltechAUTHORS:20210513-100749414", } @article {CaltechAUTHORS_https://authors.library.caltech.edu/id/eprint/108808, title ="Photohalogen elimination chemistry in low-valent binuclear nickel complexes", author = "Jun Hwang, Seung and Hadt, Ryan G. and Ruccolo, Serge and Gygi, David and Zheng, Shao-Liang and Chen, Yu-Sheng and Nocera, Daniel G.", journal = "Polyhedron", volume = "203", pages = "Art. No. 115228", month = "July", year = "2021", doi = "https://doi.org/10.1016/j.poly.2021.115228", url = "https://resolver.caltech.edu/CaltechAUTHORS:20210423-082824488", } @article {CaltechAUTHORS_https://authors.library.caltech.edu/id/eprint/109759, title ="Detection of high-valent iron species in alloyed oxidic cobaltates for catalysing the oxygen evolution reaction", author = "Li, Nancy and Hadt, Ryan G. and Hayes, Dugan and Chen, Lin X. and Nocera, Daniel G.", journal = "Nature Communications", volume = "12", pages = "Art. No. 4218", month = "July", year = "2021", doi = "https://doi.org/10.1038/s41467-021-24453-6", url = "https://resolver.caltech.edu/CaltechAUTHORS:20210709-180849558", } @article {CaltechAUTHORS_https://authors.library.caltech.edu/id/eprint/108751, title ="Deconvolving Contributions to Decoherence in Molecular Electron\u00a0Spin Qubits: A Dynamic Ligand Field Approach", author = "Mirzoyan, Ruben and Kazmierczak, Nathanael P. and Hadt, Ryan G.", journal = "Chemistry: a European Journal", volume = "27", number = "37", pages = "9482-9494", month = "July", year = "2021", doi = "https://doi.org/10.1002/chem.202100845", url = "https://resolver.caltech.edu/CaltechAUTHORS:20210416-082713543", } @article {CaltechAUTHORS_https://authors.library.caltech.edu/id/eprint/109585, title ="Electrochemical Nozaki–Hiyama–Kishi Coupling: Scope, Applications, and Mechanism", author = "Gao, Yang and Hill, David E. and Hao, Wei and McNicholas, Brendon J. and Vantourout, Julien C. and Hadt, Ryan G. and Reisman, Sarah E. and Blackmond, Donna G. and Baran, Phil S.", journal = "Journal of the American Chemical Society", volume = "143", number = "25", pages = "9478-9488", month = "June", year = "2021", doi = "https://doi.org/10.1021/jacs.1c03007", url = "https://resolver.caltech.edu/CaltechAUTHORS:20210625-220045705", } @article {CaltechAUTHORS_https://authors.library.caltech.edu/id/eprint/108151, title ="Short-lived metal-centered excited state initiates iron-methionine photodissociation in ferrous cytochrome c", author = "Reinhard, Marco E. and Mara, Michael W. and Kroll, Thomas and Lim, Hyeongtaek and Hadt, Ryan G. and Alonso-Mori, Roberto and Chollet, Matthieu and Glownia, James M. and Nelson, Silke and Sokaras, Dimosthenis and Kunnus, Kristjan and van Driel, Tim Brandt and Hartsock, Robert W. and Kjaer, Kasper S. and Weninger, Clemens and Biasin, Elisa and Gee, Leland B. and Hodgson, Keith O. and Hedman, Britt and Bergmann, Uwe and Solomon, Edward I. and Gaffney, Kelly J.", journal = "Nature Communications", volume = "12", pages = "Art. No. 1086", month = "February", year = "2021", doi = "https://doi.org/10.1038/s41467-021-21423-w", url = "https://resolver.caltech.edu/CaltechAUTHORS:20210223-105233904", } @article {CaltechAUTHORS_https://authors.library.caltech.edu/id/eprint/105568, title ="Multireference Description of Nickel-Aryl Homolytic Bond Dissociation Processes in Photoredox Catalysis", author = "Cagan, David A. and Stroscio, Gautam D. and Cusumano, Alexander Q. and Hadt, Ryan G.", journal = "Journal of Physical Chemistry A", volume = "124", number = "48", pages = "9915-9922", month = "December", year = "2020", doi = "https://doi.org/10.1021/acs.jpca.0c08646", url = "https://resolver.caltech.edu/CaltechAUTHORS:20200925-135425759", } @article {CaltechAUTHORS_https://authors.library.caltech.edu/id/eprint/104604, title ="Controlling Singlet Fission with Coordination Chemistry-Induced Assembly of Dipyridyl Pyrrole Bipentacenes", author = "Ribson, Ryan D. and Choi, Gyeongshin and Hadt, Ryan G. and Agapie, Theodor", journal = "ACS Central Science", volume = "6", number = "11", pages = "2088-2096", month = "November", year = "2020", doi = "https://doi.org/10.1021/acscentsci.0c01044", url = "https://resolver.caltech.edu/CaltechAUTHORS:20200728-104820571", } @article {CaltechAUTHORS_https://authors.library.caltech.edu/id/eprint/106342, title ="Understanding Covalent versus Spin–Orbit Coupling Contributions to Temperature-Dependent Electron Spin Relaxation in Cupric and Vanadyl Phthalocyanines", author = "Follmer, Alec H. and Ribson, Ryan D. and Oyala, Paul H. and Chen, Grace Y. and Hadt, Ryan G.", journal = "Journal of Physical Chemistry A", volume = "124", number = "44", pages = "9252-9260", month = "November", year = "2020", doi = "https://doi.org/10.1021/acs.jpca.0c07860", url = "https://resolver.caltech.edu/CaltechAUTHORS:20201028-153430407", } @article {CaltechAUTHORS_https://authors.library.caltech.edu/id/eprint/104073, title ="Electronic Structures, Spectroscopy, and Electrochemistry of [M(diimine)(CN-BR₃)₄]²⁻ (M = Fe, Ru; R = Ph, C₆F₅) Complexes", author = "Ngo, Danh X. and Del Ciello, Sarah A. and Barth, Alexandra T. and Hadt, Ryan G. and Grubbs, Robert H. and Gray, Harry B. and McNicholas, Brendon J.", journal = "Inorganic Chemistry", volume = "59", number = "14", pages = "9594-9604", month = "July", year = "2020", doi = "https://doi.org/10.1021/acs.inorgchem.0c00632", url = "https://resolver.caltech.edu/CaltechAUTHORS:20200626-103612516", } @article {CaltechAUTHORS_https://authors.library.caltech.edu/id/eprint/104267, title ="Template-stabilized oxidic nickel oxygen evolution catalysts", author = "Li, Nancy and Keane, Thomas P. and Veroneau, Samuel S. and Hadt, Ryan G. and Hayes, Dugan and Chen, Lin X. and Nocera, Daniel G.", journal = "Proceedings of the National Academy of Sciences of the United States of America", volume = "117", number = "28", pages = "16187-16192", month = "July", year = "2020", doi = "https://doi.org/10.1073/pnas.2001529117", url = "https://resolver.caltech.edu/CaltechAUTHORS:20200708-071419168", } @article {CaltechAUTHORS_https://authors.library.caltech.edu/id/eprint/100989, title ="Multireference Ground and Excited State Electronic Structures of Free- versus Iron Porphyrin-Carbenes", author = "Stroscio, Gautam D. and Srnec, Martin and Hadt, Ryan G.", journal = "Inorganic Chemistry", volume = "59", number = "13", pages = "8707-8715", month = "July", year = "2020", doi = "https://doi.org/10.1021/acs.inorgchem.0c00249", url = "https://resolver.caltech.edu/CaltechAUTHORS:20200129-130658853", } @article {CaltechAUTHORS_https://authors.library.caltech.edu/id/eprint/101688, title ="Spin-Phonon Coupling and Dynamic Zero-Field Splitting Contributions to Spin Conversion Processes in Iron(II) Complexes", author = "Higdon, Nicholas J. and Barth, Alexandra T. and Kozlowski, Patryk T. and Hadt, Ryan G.", journal = "Journal of Chemical Physics", volume = "152", number = "20", pages = "Art. No. 204306", month = "May", year = "2020", doi = "https://doi.org/10.1063/5.0006361", url = "https://resolver.caltech.edu/CaltechAUTHORS:20200303-160403611", } @article {CaltechAUTHORS_https://authors.library.caltech.edu/id/eprint/99669, title ="The Dynamic Ligand Field of a Molecular Qubit: Decoherence Through Spin–Phonon Coupling", author = "Mirzoyan, Ruben and Hadt, Ryan G.", journal = "Physical Chemistry Chemical Physics", volume = "22", number = "20", pages = "11249-11265", month = "May", year = "2020", doi = "https://doi.org/10.1039/D0CP00852D", url = "https://resolver.caltech.edu/CaltechAUTHORS:20191105-101953113", } @conference_item {CaltechAUTHORS_https://authors.library.caltech.edu/id/eprint/101359, title ="Dynamic ligand fields in qubits", author = "Hadt, Ryan G.", pages = "INOR-1028", month = "March", year = "2020", url = "https://resolver.caltech.edu/CaltechAUTHORS:20200219-080934341", } @conference_item {CaltechAUTHORS_https://authors.library.caltech.edu/id/eprint/101358, title ="Dynamic ligand fields of molecular qubits: Decoherence through spin-phonon coupling", author = "Mirzoyan, Ruben and Hadt, Ryan G.", pages = "INOR-0647", month = "March", year = "2020", url = "https://resolver.caltech.edu/CaltechAUTHORS:20200219-080627080", } @conference_item {CaltechAUTHORS_https://authors.library.caltech.edu/id/eprint/101400, title ="Influencing singlet fission via coordination chemistry in 2,5-di(2-pyridyl)pyrrole-linked bipentacenes", author = "Ribson, Ryan and Agapie, Theodor and Hadt, Ryan G.", pages = "PHYS-0285", month = "March", year = "2020", url = "https://resolver.caltech.edu/CaltechAUTHORS:20200219-150326751", } @conference_item {CaltechAUTHORS_https://authors.library.caltech.edu/id/eprint/101366, title ="Photophysical entatic states in transition metal complexes for solar energy conversion", author = "Hadt, Ryan G.", pages = "INOR-0931", month = "March", year = "2020", url = "https://resolver.caltech.edu/CaltechAUTHORS:20200219-084759545", } @conference_item {CaltechAUTHORS_https://authors.library.caltech.edu/id/eprint/101362, title ="Quantifying entatic states in photophysical processes: Applications to copper photosensitizers", author = "Stroscio, Gautam D. and Ribson, Ryan and Hadt, Ryan G.", pages = "INOR-0798", month = "March", year = "2020", url = "https://resolver.caltech.edu/CaltechAUTHORS:20200219-082952709", } @article {CaltechAUTHORS_https://authors.library.caltech.edu/id/eprint/99942, title ="Copper-Catalyzed Enantioselective Allylic Alkylation with a γ-Butyrolactone-Derived Silyl Ketene Acetal", author = "Jette, Carina I. and Tong, Z. Jaron and Hadt, Ryan G. and Stoltz, Brian M.", journal = "Angewandte Chemie International Edition", volume = "59", number = "5", pages = "2033-2038", month = "January", year = "2020", doi = "https://doi.org/10.1002/anie.201912618", url = "https://resolver.caltech.edu/CaltechAUTHORS:20191120-075819004", } @article {CaltechAUTHORS_https://authors.library.caltech.edu/id/eprint/100063, title ="Quantifying Entatic States in Photophysical Processes: Applications to Copper Photosensitizers", author = "Stroscio, Gautam D. and Ribson, Ryan D. and Hadt, Ryan G.", journal = "Inorganic Chemistry", volume = "58", number = "24", pages = "16800-16817", month = "December", year = "2019", doi = "https://doi.org/10.1021/acs.inorgchem.9b02976", url = "https://resolver.caltech.edu/CaltechAUTHORS:20191126-105444590", } @article {CaltechAUTHORS_https://authors.library.caltech.edu/id/eprint/90913, title ="Mechanism of selective benzene hydroxylation catalyzed by iron-containing zeolites", author = "Snyder, Benjamin E. R. and Bols, Max L. and Rhoda, Hannah M. and Vanelderen, Pieter and Böttger, Lars H. and Braun, Augustin and Yan, James J. and Hadt, Ryan G. and Babicz, Jeffrey T. and Hu, Michael Y. and Zhao, Jiyong and Alp, E. Ercan and Hedman, Britt and Hodgson, Keith O. and Schoonheydt, Robert A. and Sels, Bert F. and Solomon, Edward I.", journal = "Proceedings of the National Academy of Sciences of the United States of America", volume = "115", number = "48", pages = "12124-12129", month = "November", year = "2018", doi = "https://doi.org/10.1073/pnas.1813849115", url = "https://resolver.caltech.edu/CaltechAUTHORS:20181115-101001408", } @article {CaltechAUTHORS_https://authors.library.caltech.edu/id/eprint/102486, title ="The Nature of the Long-Lived Excited State in a Ni^(II) Phthalocyanine Complex Investigated by X-Ray Transient Absorption Spectroscopy", author = "Hong, Jiyun and Kelley, Matthew S. and Shelby, Megan L. and Hayes, Dugan K. and Hadt, Ryan G. and Rimmerman, Dolev and Zhang, Xiaoyi and Chen, Lin X.", journal = "ChemSusChem", volume = "11", number = "14", pages = "2421-2428", month = "July", year = "2018", doi = "https://doi.org/10.1002/cssc.201800777", url = "https://resolver.caltech.edu/CaltechAUTHORS:20200410-115330197", } @article {CaltechAUTHORS_https://authors.library.caltech.edu/id/eprint/86995, title ="Excited state electron and energy relays in supramolecular dinuclear complexes revealed by ultrafast optical and X-ray transient absorption spectroscopy", author = "Hayes, Dugan and Kohler, Lars and Hadt, Ryan G. and Zhang, Xiaoyi and Liu, Cunming and Mulfort, Karen L. and Chen, Lin X.", journal = "Chemical Science", volume = "9", number = "4", pages = "860-875", month = "January", year = "2018", doi = "https://doi.org/10.1039/C7SC04055E", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-093858300", } @article {CaltechAUTHORS_https://authors.library.caltech.edu/id/eprint/87213, title ="High-valent states in cobalt and nickel oxygen-evolving catalysts and their role in O—O bond formation", author = "Hadt, Ryan G.", journal = "Acta Crystallographica. Section A, Foundations of Crystallography", volume = "73", number = "a1", pages = "Art. No. a152", month = "December", year = "2017", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180619-090044704", } @article {CaltechAUTHORS_https://authors.library.caltech.edu/id/eprint/87020, title ="Synthesis, structure, and excited state kinetics of heteroleptic Cu(I) complexes with a new sterically demanding phenanthroline ligand", author = "Kohler, Lars and Hadt, Ryan G. and Hayes, Dugan and Chen, Lin X. and Mulfort, Karen L.", journal = "Dalton Transactions", volume = "46", number = "38", pages = "13088-13100", month = "October", year = "2017", doi = "https://doi.org/10.1039/c7dt02476b", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-141349167", } @article {CaltechAUTHORS_https://authors.library.caltech.edu/id/eprint/86984, title ="Ultrafast dynamics of two copper bis-phenanthroline complexes measured by x-ray transient absorption spectroscopy", author = "Kelley, Matthew S. and Shelby, Megan L. and Mara, Michael W. and Haldrup, Kristoffer and Hayes, Dugan and Hadt, Ryan G. and Zhang, Xiaoyi and Stickrath, Andrew B. and Ruppert, Romain and Sauvage, Jean-Pierre and Zhu, Diling and Lemke, Henrik T. and Chollet, Matthieu and Schatz, George C. and Chen, Lin X.", journal = "Journal of Physics B: Atomic, Molecular and Optical Physics", volume = "50", number = "15", pages = "Art. No. 154006", month = "August", year = "2017", doi = "https://doi.org/10.1088/1361-6455/aa7b97", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-074847743", } @article {CaltechAUTHORS_https://authors.library.caltech.edu/id/eprint/86998, title ="Ligand manipulation of charge transfer excited state relaxation and spin crossover in [Fe(2,2'-bipyridine)_2(CN)_2]", author = "Kjær, Kasper S. and Zhang, Wenkai and Alonso-Mori, Roberto and Bergmann, Uwe and Chollet, Matthieu and Hadt, Ryan G. and Hartsock, Robert W. and Harlang, Tobias and Kroll, Thomas and Kubiček, Katharina and Lemke, Henrik T. and Liang, Huiyang W. and Liu, Yizhu and Nielsen, Martin M. and Robinson, Joseph S. and Solomon, Edward I. and Sokaras, Dimosthenis and van Driel, Tim B. and Weng, Tsu-Chien and Zhu, Diling and Persson, Petter and Wärnmark, Kenneth and Sundström, Villy and Gaffney, Kelly J.", journal = "Structural Dynamics", volume = "4", number = "4", pages = "Art. No. 044030", month = "July", year = "2017", doi = "https://doi.org/10.1063/1.4985017", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-100432522", } @article {CaltechAUTHORS_https://authors.library.caltech.edu/id/eprint/86997, title ="Metalloprotein entatic control of ligand-metal bonds quantified by ultrafast x-ray spectroscopy", author = "Mara, Michael W. and Hadt, Ryan G. and Reinhard, Marco Eli and Kroll, Thomas and Lim, Hyeongtaek and Hartsock, Robert W. and Alonso-Mori, Roberto and Chollet, Matthieu and Glownia, James M. and Nelson, Silke and Sokaras, Dimosthenis and Kunnus, Kristjan and Hodgson, Keith O. and Hedman, Britt and Bergmann, Uwe and Gaffney, Kelly J. and Solomon, Edward I.", journal = "Science", volume = "356", number = "6344", pages = "1276-1280", month = "June", year = "2017", doi = "https://doi.org/10.1126/science.aam6203", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-094721524", } @article {CaltechAUTHORS_https://authors.library.caltech.edu/id/eprint/86999, title ="In situ characterization of cofacial Co(IV) centers in Co_4O_4 cubane: Modeling the high-valent active site in oxygen-evolving catalysts", author = "Brodsky, Casey N. and Hadt, Ryan G. and Hayes, Dugan and Reinhart, Benjamin J. and Li, Nancy and Chen, Lin X. and Nocera, Daniel G.", journal = "Proceedings of the National Academy of Sciences of the United States of America", volume = "114", number = "15", pages = "3855-3860", month = "April", year = "2017", doi = "https://doi.org/10.1073/pnas.1701816114", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-101929196", } @article {CaltechAUTHORS_https://authors.library.caltech.edu/id/eprint/86987, title ="Influence of iron doping on tetravalent nickel content in catalytic oxygen evolving films", author = "Li, Nancy and Bediako, D. Kwabena and Hadt, Ryan G. and Hayes, Dugan and Kempa, Thomas J. and von Cube, Felix and Bell, David C. and Chen, Lin X. and Nocera, Daniel G.", journal = "Proceedings of the National Academy of Sciences of the United States of America", volume = "114", number = "7", pages = "1486-1491", month = "February", year = "2017", doi = "https://doi.org/10.1073/pnas.1620787114", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-082036774", } @article {CaltechAUTHORS_https://authors.library.caltech.edu/id/eprint/87000, title ="Manipulating charge transfer excited state relaxation and spin crossover in iron coordination complexes with ligand substitution", author = "Zhang, Wenkai and Kjær, Kasper S. and Alonso-Mori, Roberto and Bergmann, Uwe and Chollet, Matthieu and Fredin, Lisa A. and Hadt, Ryan G. and Hartsock, Robert W. and Harlang, Tobias and Kroll, Thomas and Kubiček, Katharina and Lemke, Henrik T. and Liang, Huiyang W. and Liu, Yizhu and Nielsen, Martin M. and Persson, Petter and Robinson, Joseph S. and Solomon, Edward I. and Sun, Zheng and Sokaras, Dimosthenis and van Driel, Tim B. and Weng, Tsu-Chien and Zhu, Diling and Wärnmark, Kenneth and Sundström, Villy and Gaffney, Kelly J.", journal = "Chemical Science", volume = "8", number = "1", pages = "515-523", month = "January", year = "2017", doi = "https://doi.org/10.1039/c6sc03070j", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-103705875", } @article {CaltechAUTHORS_https://authors.library.caltech.edu/id/eprint/87024, title ="Electronic and nuclear contributions to time-resolved optical and X-ray absorption spectra of hematite and insights into photoelectrochemical performance", author = "Hayes, Dugan and Hadt, Ryan G. and Emery, Jonathan D. and Cordones, Amy A. and Martinson, Alex B. F. and Shelby, Megan L. and Fransted, Kelly A. and Dahlberg, Peter D. and Hong, Jiyun and Zhang, Xiaoyi and Kong, Qingyu and Schoenlein, Robert W. and Chen, Lin X.", journal = "Energy and Environmental Science", volume = "2016", number = "12", pages = "3754-3769", month = "December", year = "2016", doi = "https://doi.org/10.1039/C6EE02266A", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-143751095", } @article {CaltechAUTHORS_https://authors.library.caltech.edu/id/eprint/87001, title ="Activating Metal Sites for Biological Electron Transfer", author = "Solomon, Edward I. and Hadt, Ryan G. and Snyder, Benjamin E. R.", journal = "Israel Journal of Chemistry", volume = "56", number = "9-10", pages = "649-659", month = "October", year = "2016", doi = "https://doi.org/10.1002/ijch.201600016", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-105511400", } @article {CaltechAUTHORS_https://authors.library.caltech.edu/id/eprint/87022, 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", author = "Hadt, Ryan G. and Hayes, Dugan and Brodsky, Casey N. and Ullman, Andrew M. and Casa, Diego M. and Upton, Mary H. and Nocera, Daniel G. and Chen, Lin X.", journal = "Journal of the American Chemical Society", volume = "138", number = "34", pages = "11017-11030", month = "August", year = "2016", doi = "https://doi.org/10.1021/jacs.6b04663", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-142321731", } @article {CaltechAUTHORS_https://authors.library.caltech.edu/id/eprint/86986, title ="Photocatalysts Based on Cobalt-Chelating Conjugated Polymers for Hydrogen Evolution from Water", author = "Li, Lianwei and Hadt, Ryan G. and Yao, Shiyu and Lo, Wai-Yip and Cai, Zhengxu and Wu, Qinghe and Pandit, Bill and Chen, Lin X. and Yu, Luping", journal = "Chemistry of Materials", volume = "28", number = "15", pages = "5394-5399", month = "August", year = "2016", doi = "https://doi.org/10.1021/acs.chemmater.6b01477", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-081256898", } @article {CaltechAUTHORS_https://authors.library.caltech.edu/id/eprint/86985, title ="Halogen Photoelimination from Monomeric Nickel(III) Complexes Enabled by the Secondary Coordination Sphere", author = "Hwang, Seung Jun and Anderson, Bryce L. and Powers, David C. and Maher, Andrew G. and Hadt, Ryan G. and Nocera, Daniel G.", journal = "Organometallics", volume = "34", number = "19", pages = "4766-4774", month = "October", year = "2015", doi = "https://doi.org/10.1021/acs.organomet.5b00568", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-080212389", } @article {CaltechAUTHORS_https://authors.library.caltech.edu/id/eprint/87025, title ="Trap-Free Halogen Photoelimination from Mononuclear Ni(III) Complexes", author = "Hwang, Seung Jun and Powers, David C. and Maher, Andrew G. and Anderson, Bryce L. and Hadt, Ryan G. and Zheng, Shao-Liang and Chen, Yu-Sheng and Nocera, Daniel G.", journal = "Journal of the American Chemical Society", volume = "137", number = "20", pages = "6472-6475", month = "May", year = "2015", doi = "https://doi.org/10.1021/jacs.5b03192", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-143806306", } @article {CaltechAUTHORS_https://authors.library.caltech.edu/id/eprint/87026, title ="Spectroscopic definition of the copper active sites in mordenite: selective methane oxidation", author = "Vanelderen, Pieter and Snyder, Benjamin E. R. and Tsai, Ming-Li and Hadt, Ryan G. and Vancauwenbergh, Julie and Coussens, Olivier and Schoonheydt, Robert A. and Sels, Bert F. and Solomon, Edward I.", journal = "Journal of the American Chemical Society", volume = "137", number = "19", pages = "6383-6392", month = "May", year = "2015", doi = "https://doi.org/10.1021/jacs.5b02817", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-144351445", } @article {CaltechAUTHORS_https://authors.library.caltech.edu/id/eprint/87002, 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", author = "Kroll, Thomas and Hadt, Ryan G. and Wilson, Samuel A. and Lundberg, Marcus and Yan, James J. and Weng, Tsu-Chien and Sokaras, Dimosthenis and Alonso-Mori, Roberto and Casa, Diego and Upton, Mary H. and Hedman, Britt and Hodgson, Keith O. and Solomon, Edward I.", journal = "Journal of the American Chemical Society", volume = "136", number = "52", pages = "18087-18099", month = "December", year = "2014", doi = "https://doi.org/10.1021/ja5100367", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-110306586", } @article {CaltechAUTHORS_https://authors.library.caltech.edu/id/eprint/87004, title ="Anisotropic covalency contributions to superexchange pathways in type one copper active sites", author = "Hadt, Ryan G. and Gorelsky, Serge I. and Solomon, Edward I.", journal = "Journal of the American Chemical Society", volume = "136", number = "42", pages = "15034-15045", month = "October", year = "2014", doi = "https://doi.org/10.1021/ja508361h", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-111103819", } @conference_item {CaltechAUTHORS_https://authors.library.caltech.edu/id/eprint/86982, title ="Reactive intermediates in Cu MOR zeolites for alkane oxidation", author = "Vanelderen, Pieter and Hadt, Ryan G. and Kirschhock, Christine and Schoonheydt, Robert A. and Solomon, Edward I. and Sels, Bert F.", pages = "INOR-566", month = "August", year = "2014", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-073202981", } @article {CaltechAUTHORS_https://authors.library.caltech.edu/id/eprint/87005, title ="Efficient C-H Bond Activations O_2 Cleavage by a Dianionic Cobalt(II) Complex", author = "Nguyen, Andy I. and Hadt, Ryan G. and Solomon, Edward I. and Tilley, T. Don", journal = "Chemical Science", volume = "5", number = "7", pages = "2874-2878", month = "July", year = "2014", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-111659936", } @article {CaltechAUTHORS_https://authors.library.caltech.edu/id/eprint/87006, title ="Tracking excited-state charge and spin dynamics in iron coordination complexes", author = "Zhang, Wenkai and Alonso-Mori, Roberto and Bergmann, Uwe and Bressler, Christian and Chollet, Matthieu and Galler, Andreas and Gawelda, Wojciech and Hadt, Ryan G. and Hartsock, Robert W. and Kroll, Thomas and Kjær, Kasper S. and Kubiček, Katharina and Lemke, Henrik T. and Liang, Huiyang W. and Meyer, Drew A. and Nielsen, Martin M. and Purser, Carola and Robinson, Joseph S. and Solomon, Edward I. and Sun, Zheng and Sokaras, Dimosthenis and van Driel, Tim B. and Vankó, György and Weng, Tsu-Chien and Zhu, Diling and Gaffney, Kelly J.", journal = "Nature", volume = "509", number = "7500", pages = "345-348", month = "May", year = "2014", doi = "https://doi.org/10.1038/nature13252", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-112437637", } @article {CaltechAUTHORS_https://authors.library.caltech.edu/id/eprint/87007, title ="Copper active sites in biology", author = "Solomon, Edward I. and Heppner, David E. and Johnston, Esther M. and Ginsbach, Jake W. and Cirera, Jordi and Qayyum, Munzarin and Kieber-Emmons, Matthew T. and Kjaergaard, Christian H. and Hadt, Ryan G. and Tian, Li", journal = "Chemical Reviews", volume = "114", number = "7", pages = "3659-3853", month = "April", year = "2014", doi = "https://doi.org/10.1021/cr400327t", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-113703018", } @article {CaltechAUTHORS_https://authors.library.caltech.edu/id/eprint/87027, title ="[Cu_2O]^(2+) active site formation in Cu-ZSM-5: geometric and electronic structure requirements for N_2O activation", author = "Tsai, Ming-Li and Hadt, Ryan G. and Vanelderen, Pieter and Sels, Bert F. and Schoonheydt, Robert A. and Solomon, Edward I.", journal = "Journal of the American Chemical Society", volume = "136", number = "9", pages = "3522-3529", month = "March", year = "2014", doi = "https://doi.org/10.1021/ja4113808", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-145030835", } @article {CaltechAUTHORS_https://authors.library.caltech.edu/id/eprint/87008, title ="Copper-sulfenate complex from oxidation of a cavity mutant of Pseudomonas aeruginosa azurin", author = "Sieracki, Nathan A. and Tian, Shiliang and Hadt, Ryan G. and Zhang, Jun-Long and Woertink, Julia S. and Nilges, Mark J. and Sun, Furong and Solomon, Edward I. and Lu, Yi", journal = "Proceedings of the National Academy of Sciences of the United States of America", volume = "111", number = "3", pages = "924-929", month = "January", year = "2014", doi = "https://doi.org/10.1073/pnas.1316483111", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-114523845", } @article {CaltechAUTHORS_https://authors.library.caltech.edu/id/eprint/87029, title ="Spectroscopy and redox chemistry of copper in mordenite", author = "Vanelderen, Pieter and Vancauwenbergh, Julie and Tsai, Ming-Li and Hadt, Ryan G. and Solomon, Edward I. and Schoonheydt, Robert A. and Sels, Bert F.", journal = "ChemPhysChem", volume = "15", number = "1", pages = "91-99", month = "January", year = "2014", doi = "https://doi.org/10.1002/cphc.201300730", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-145906146", } @article {CaltechAUTHORS_https://authors.library.caltech.edu/id/eprint/87009, title ="Axial interactions in the mixed-valent Cu_A active site and role of the axial methionine in electron transfer", author = "Tsai, Ming-Li and Hadt, Ryan G. and Marshall, Nicholas M. and Wilson, Tiffany D. and Lu, Yi and Solomon, Edward I.", journal = "Proceedings of the National Academy of Sciences of the United States of America", volume = "110", number = "36", pages = "14658-14663", month = "September", year = "2013", doi = "https://doi.org/10.1073/pnas.1314242110", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-125104163", } @article {CaltechAUTHORS_https://authors.library.caltech.edu/id/eprint/87011, 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", author = "Hadt, Ryan G. and Sun, Ning and Marshall, Nicholas M. and Hodgson, Keith O. and Hedman, Britt and Lu, Yi and Solomon, Edward I.", journal = "Journal of the American Chemical Society", volume = "134", number = "40", pages = "16701-16716", month = "October", year = "2012", doi = "https://doi.org/10.1021/ja306438n", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-125943278", } @article {CaltechAUTHORS_https://authors.library.caltech.edu/id/eprint/87030, 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", author = "Hadt, Ryan G. and Xie, Xiangjin and Pauleta, Sofia R. and Moura, Isabel and Solomon, Edward I.", journal = "Journal of Inorganic Biochemistry", volume = "115", pages = "155-162", month = "October", year = "2012", doi = "https://doi.org/10.1016/j.jinorgbio.2012.03.006", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-150514757", } @article {CaltechAUTHORS_https://authors.library.caltech.edu/id/eprint/87014, title ="Bilirubin oxidase from Bacillus pumilus: a promising enzyme for the elaboration of efficient cathodes in biofuel cells", author = "Durand, Fabien and Kjaergaard, Christian Hauge and Suraniti, Emmanuel and Gounel, Sébastien and Hadt, Ryan G. and Solomon, Edward I. and Mano, Nicolas", journal = "Biosensors & Bioelectronics", volume = "35", number = "1", pages = "140-146", month = "May", year = "2012", doi = "https://doi.org/10.1016/j.bios.2012.02.033", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-134152515", } @article {CaltechAUTHORS_https://authors.library.caltech.edu/id/eprint/87016, title ="Cu-ZSM-5: A biomimetic inorganic model for methane oxidation", author = "Vanelderen, Pieter and Hadt, Ryan G. and Smeets, Pieter J. and Solomon, Edward I. and Schoonheydt, Robert A. and Sels, Bert F.", journal = "Journal of Catalysis", volume = "284", number = "2", pages = "157-164", month = "December", year = "2011", doi = "https://doi.org/10.1016/j.jcat.2011.10.009", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-134854687", } @article {CaltechAUTHORS_https://authors.library.caltech.edu/id/eprint/87034, 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?", author = "Nemykin, Victor N. and Hadt, Ryan G.", journal = "Journal of Physical Chemistry A", volume = "114", number = "45", pages = "12062-12066", month = "November", year = "2010", doi = "https://doi.org/10.1021/jp1083828", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-154059709", } @article {CaltechAUTHORS_https://authors.library.caltech.edu/id/eprint/87017, title ="Oxygen precursor to the reactive intermediate in methanol synthesis by Cu-ZSM-5", author = "Smeets, Pieter J. and Hadt, Ryan G. and Woertink, Julia S. and Vanelderen, Pieter and Schoonheydt, Robert A. and Sels, Bert F. and Solomon, Edward I.", journal = "Journal of the American Chemical Society", volume = "132", number = "42", pages = "14736-14738", month = "October", year = "2010", doi = "https://doi.org/10.1021/ja106283u", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-135652810", } @article {CaltechAUTHORS_https://authors.library.caltech.edu/id/eprint/87036, title ="Long-range electronic communication in free-base meso-poly(ferrocenyl)-containing porphyrins", author = "Nemykin, Victor N. and Rohde, Gregory T. and Barrett, Christopher D. and Hadt, Ryan G. and Sabin, Jared R. and Reina, Giacomo and Galloni, Pierluca and Floris, Barbara", journal = "Inorganic Chemistry", volume = "49", number = "16", pages = "7497-7509", month = "August", year = "2010", doi = "https://doi.org/10.1021/ic101012a", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-154650771", } @article {CaltechAUTHORS_https://authors.library.caltech.edu/id/eprint/87018, title ="Comparative calculation of EPR spectral parameters in [Mo^VOX_4]^-, [Mo^VOX_5]^(2-), and [Mo^VOX_4(H_2O)]^- complexes", author = "Hadt, Ryan G. and Nemykin, Victor N. and Olsen, Joseph G. and Basu, Partha", journal = "Physical Chemistry Chemical Physics", volume = "11", number = "44", pages = "10377-10384", month = "November", year = "2009", doi = "https://doi.org/10.1039/b905554a", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-140553392", } @article {CaltechAUTHORS_https://authors.library.caltech.edu/id/eprint/87037, title ="Electron-transfer processes in metal-free tetraferrocenylporphyrin. Understanding internal interactions to access mixed-valence States potentially useful for quantum cellular automata", author = "Nemykin, Victor N. and Rohde, Gregory T. and Barrett, Christopher D. and Hadt, Ryan G. and Bizzarri, Claudia and Galloni, Pierluca and Floris, Barbara and Nowik, Israel and Herber, Rolfe H. and Marrani, Andrea G. and Zanoni, Robertino and Loim, Nikolay M.", journal = "Journal of the American Chemical Society", volume = "131", number = "41", pages = "14969-14978", month = "October", year = "2009", doi = "https://doi.org/10.1021/ja905310h", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-155637465", } @article {CaltechAUTHORS_https://authors.library.caltech.edu/id/eprint/87038, title ="A variable temperature spectroscopic study on Paracoccus pantotrophus pseudoazurin: protein constraints on the blue Cu site", author = "Xie, Xiangjin and Hadt, Ryan G. and Pauleta, Sofia R. and González, Pablo J. and Un, Sun and Moura, Isabel and Solomon, Edward I.", journal = "Journal of Inorganic Biochemistry", volume = "103", number = "10", pages = "1307-1313", month = "October", year = "2009", doi = "https://doi.org/10.1016/j.jinorgbio.2009.04.012", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-155638279", } @article {CaltechAUTHORS_https://authors.library.caltech.edu/id/eprint/87039, title ="Exploring the ground and excited state potential energy landscapes of the mixed-valence biferrocenium complex", author = "Hadt, Ryan G. and Nemykin, Victor N.", journal = "Inorganic Chemistry", volume = "48", number = "9", pages = "3982-3992", month = "May", year = "2009", doi = "https://doi.org/10.1021/ic801801m", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-155639069", } @article {CaltechAUTHORS_https://authors.library.caltech.edu/id/eprint/87040, title ="Metal-free and transition-metal tetraferrocenylporphyrins part 1: synthesis, characterization, electronic structure, and conformational flexibility of neutral compounds", author = "Nemykin, Victor N. and Galloni, Pierluca and Floris, Barbara and Barrett, Christopher D. and Hadt, Ryan G. and Subbotin, Roman I. and Marrani, Andrea G. and Zanoni, Robertino and Loim, Nikolay M.", journal = "Dalton Transactions", volume = "2008", number = "32", pages = "4233-4246", month = "August", year = "2008", doi = "https://doi.org/10.1039/b805156a", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-161521832", } @article {CaltechAUTHORS_https://authors.library.caltech.edu/id/eprint/87041, 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?", author = "Nemykin, Victor N. and Hadt, Ryan G. and Belosludov, Rodion V. and Mizuseki, Hiroshi and Kawazoe, Yoshiyuki", journal = "Journal of Physical Chemistry A", volume = "111", number = "50", pages = "12901-12913", month = "December", year = "2007", doi = "https://doi.org/10.1021/jp0759731", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-161522631", } @article {CaltechAUTHORS_https://authors.library.caltech.edu/id/eprint/87042, title ="Preparation, characterization, molecular and electronic structures, TDDFT, and TDDFT/PCM study of the solvatochromism in cyanovinylferrocenes", author = "Nemykin, Victor N. and Makarova, Elena A. and Grosland, Jeffrey O. and Hadt, Ryan G. and Koposov, Alexey Y.", journal = "Inorganic Chemistry", volume = "46", number = "23", pages = "9591-9601", month = "November", year = "2007", doi = "https://doi.org/10.1021/ic700558v", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-161523450", } @article {CaltechAUTHORS_https://authors.library.caltech.edu/id/eprint/87044, title ="Mixed-valence states formation in conformationally flexible metal-free 5,10,15,20-tetraferrocenylporphyrin and 5,10-bisferrocenyl-15,20-bisphenylporphyrin", author = "Nemykin, Victor N. and Barrett, Christopher D. and Hadt, Ryan G. and Subbotin, Roman I. and Maximov, Alexander Y. and Polshin, Ernst V. and Koposov, Alexey Y.", journal = "Dalton Transactions", volume = "2007", number = "31", pages = "3378-3389", month = "August", year = "2007", doi = "https://doi.org/10.1039/b703581k", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-161525030", } @article {CaltechAUTHORS_https://authors.library.caltech.edu/id/eprint/87043, title ="Influence of Hartree-Fock exchange on the calculated Mössbauer isomer shifts and quadrupole splittings in ferrocene derivatives using density functional theory", author = "Nemykin, Victor N. and Hadt, Ryan G.", journal = "Inorganic Chemistry", volume = "45", number = "20", pages = "8297-8307", month = "October", year = "2006", doi = "https://doi.org/10.1021/ic061176q", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-161524242", }