@article{https://authors.library.caltech.edu/records/427e2-s5e14, authors = "Bím, Daniel and Luedecke, Kaitlin M. and Cagan, David A. and Hadt, Ryan G.", title = "Light Activation and Photophysics of a Structurally Constrained Nickel(II)–Bipyridine Aryl Halide Complex", journal = "Inorganic Chemistry", publisher = "American Chemical Society", year = "2024", url = "https://authors.library.caltech.edu/records/427e2-s5e14", id = "https://authors.library.caltech.edu/records/427e2-s5e14", issn = "0020-1669", doi = "10.1021/acs.inorgchem.3c03822", volume = "63", number = "9", pages = "4120-4131" } @article{https://authors.library.caltech.edu/records/7wwm7-sp505, authors = "Kazmierczak, Nathanael P. and Lopez, Nathan E. and Luedecke, Kaitlin M. and Hadt, Ryan G.", title = "Determining the key vibrations for spin relaxation in ruffled Cu(II) porphyrins via resonance Raman spectroscopy", journal = "Chemical Science", publisher = "Royal Society of Chemistry", year = "2024", url = "https://authors.library.caltech.edu/records/7wwm7-sp505", id = "https://authors.library.caltech.edu/records/7wwm7-sp505", issn = "2041-6520", doi = "10.1039/d3sc05774g", volume = "15", number = "7", pmcid = "PMC10866354", pages = "2380-2390" } @article{https://authors.library.caltech.edu/records/3fr0b-r3r52, authors = "Kazmierczak, Nathanael P. and Luedecke, Kaitlin M. and Gallmeier, Elisabeth T. and Hadt, Ryan G.", title = "T₁ Anisotropy Elucidates Spin Relaxation Mechanisms in an S = 1 Cr(IV) Optically Addressable Molecular Qubit", journal = "Journal of Physical Chemistry Letters", publisher = "American Chemical Society", year = "2023", url = "https://authors.library.caltech.edu/records/3fr0b-r3r52", id = "https://authors.library.caltech.edu/records/3fr0b-r3r52", issn = "1948-7185", doi = "10.1021/acs.jpclett.3c01964", volume = "14", number = "34", pages = "7658-7664" } @article{https://authors.library.caltech.edu/records/5v97q-b4c50, authors = "McNicholas, Brendon J. and Tong, Z. Jaron and Bím, Daniel and Turro, Raymond F. and Kazmierczak, Nathanael P. and Chalupský, Jakub and Reisman, Sarah E. and Hadt, Ryan G.", 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", publisher = "American Chemical Society", year = "2023", url = "https://authors.library.caltech.edu/records/5v97q-b4c50", id = "https://authors.library.caltech.edu/records/5v97q-b4c50", issn = "0020-1669", doi = "10.1021/acs.inorgchem.3c02048", volume = "62", number = "34", pmcid = "PMC10530056", pages = "14010-14027" } @article{https://authors.library.caltech.edu/records/z9yb7-5ew98, authors = "Turro, Raymond F. and Wahlman, Julie L. H. and Tong, Z. Jaron and Chen, Xiahe and Yang, Miao and Chen, Emily P. and Hong, Xin and Hadt, Ryan G. and Houk, K. N. and Yang, Yun-Fang and Reisman, Sarah E.", title = "Mechanistic Investigation of Ni-Catalyzed Reductive Cross-Coupling of Alkenyl and Benzyl Electrophiles", journal = "Journal of the American Chemical Society", publisher = "American Chemical Society", year = "2023", url = "https://resolver.caltech.edu/CaltechAUTHORS:20230710-599244800.28", id = "https://authors.library.caltech.edu/records/z9yb7-5ew98", issn = "0002-7863", doi = "10.1021/jacs.3c02649", volume = "145", number = "27", pmcid = "PMC10347553", pages = "14705-14715" } @article{https://authors.library.caltech.edu/records/aqptv-k3b45, authors = "Cagan, David A. and Bím, Daniel and McNicholas, Brendon J. and Kazmierczak, Nathanael P. and Oyala, Paul H. and Hadt, Ryan G.", title = "Photogenerated Ni(I)–Bipyridine Halide Complexes: Structure–Function Relationships for Competitive C(sp²)–Cl Oxidative Addition and Dimerization Reactivity Pathways", journal = "Inorganic Chemistry", publisher = "American Chemical Society", year = "2023", url = "https://resolver.caltech.edu/CaltechAUTHORS:20230725-856902000.17", id = "https://authors.library.caltech.edu/records/aqptv-k3b45", issn = "0020-1669", doi = "10.1021/acs.inorgchem.3c00917", volume = "62", number = "24", pmcid = "PMC10330939", pages = "9538-9551" } @article{https://authors.library.caltech.edu/records/1gamc-3bx79, authors = "Follmer, Alec H. and Luedecke, Kaitlin M. and Hadt, Ryan G.", title = "μ-Oxo Dimerization Effects on Ground- and Excited-State Properties of a Water-Soluble Iron Porphyrin CO₂ Reduction Catalyst", journal = "Inorganic Chemistry", publisher = "American Chemical Society", year = "2022", url = "https://resolver.caltech.edu/CaltechAUTHORS:20230125-514949300.25", id = "https://authors.library.caltech.edu/records/1gamc-3bx79", issn = "0020-1669", doi = "10.1021/acs.inorgchem.2c03215", volume = "61", number = "50", pages = "20493-20500" } @article{https://authors.library.caltech.edu/records/42w1d-gxj13, authors = "Kazmierczak, Nathanael P. and Hadt, Ryan G.", title = "Illuminating Ligand Field Contributions to Molecular Qubit Spin Relaxation via T₁ Anisotropy", journal = "Journal of the American Chemical Society", publisher = "American Chemical Society", year = "2022", url = "https://resolver.caltech.edu/CaltechAUTHORS:20221128-494241100.49", id = "https://authors.library.caltech.edu/records/42w1d-gxj13", issn = "0002-7863", doi = "10.1021/jacs.2c08729", volume = "144", number = "45", pages = "20804-20814" } @article{https://authors.library.caltech.edu/records/700y2-smp69, authors = "Cagan, David A. and Bím, Daniel and Silva, Breno and Kazmierczak, Nathanael P. and McNicholas, Brendon J. and Hadt, Ryan G.", title = "Elucidating the Mechanism of Excited-State Bond Homolysis in Nickel–Bipyridine Photoredox Catalysts", journal = "Journal of the American Chemical Society", publisher = "American Chemical Society", year = "2022", url = "https://resolver.caltech.edu/CaltechAUTHORS:20220406-18315469", id = "https://authors.library.caltech.edu/records/700y2-smp69", issn = "0002-7863", doi = "10.1021/jacs.2c01356", volume = "144", number = "14", pmcid = "PMC9979631", pages = "6516-6531" } @article{https://authors.library.caltech.edu/records/ytnj6-kmk84, authors = "Kazmierczak, Nathanael P. and Mirzoyan, Ruben and Hadt, Ryan G.", title = "The Impact of Ligand Field Symmetry on Molecular Qubit Coherence", journal = "Journal of the American Chemical Society", publisher = "American Chemical Society", year = "2021", url = "https://resolver.caltech.edu/CaltechAUTHORS:20210513-100749414", id = "https://authors.library.caltech.edu/records/ytnj6-kmk84", issn = "0002-7863", doi = "10.1021/jacs.1c04605", volume = "143", number = "42", pages = "17305-17315" } @article{https://authors.library.caltech.edu/records/rvfg6-tbm96, authors = "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.", title = "Photohalogen elimination chemistry in low-valent binuclear nickel complexes", journal = "Polyhedron", publisher = "Elsevier", year = "2021", url = "https://resolver.caltech.edu/CaltechAUTHORS:20210423-082824488", id = "https://authors.library.caltech.edu/records/rvfg6-tbm96", issn = "0277-5387", doi = "10.1016/j.poly.2021.115228", volume = "203", pages = "Art. No. 115228" } @article{https://authors.library.caltech.edu/records/q1q30-qyb23, authors = "Li, Nancy and Hadt, Ryan G. and Hayes, Dugan and Chen, Lin X. and Nocera, Daniel G.", title = "Detection of high-valent iron species in alloyed oxidic cobaltates for catalysing the oxygen evolution reaction", journal = "Nature Communications", publisher = "Nature Publishing Group", year = "2021", url = "https://resolver.caltech.edu/CaltechAUTHORS:20210709-180849558", id = "https://authors.library.caltech.edu/records/q1q30-qyb23", issn = "2041-1723", doi = "10.1038/s41467-021-24453-6", volume = "12", pages = "Art. No. 4218" } @article{https://authors.library.caltech.edu/records/61fr5-wgx77, authors = "Mirzoyan, Ruben and Kazmierczak, Nathanael P. and Hadt, Ryan G.", title = "Deconvolving Contributions to Decoherence in Molecular Electron Spin Qubits: A Dynamic Ligand Field Approach", journal = "Chemistry: a European Journal", publisher = "Wiley", year = "2021", url = "https://resolver.caltech.edu/CaltechAUTHORS:20210416-082713543", id = "https://authors.library.caltech.edu/records/61fr5-wgx77", issn = "0947-6539", doi = "10.1002/chem.202100845", volume = "27", number = "37", pages = "9482-9494" } @article{https://authors.library.caltech.edu/records/sbv93-m1c19, authors = "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.", title = "Electrochemical Nozaki–Hiyama–Kishi Coupling: Scope, Applications, and Mechanism", journal = "Journal of the American Chemical Society", publisher = "American Chemical Society", year = "2021", url = "https://resolver.caltech.edu/CaltechAUTHORS:20210625-220045705", id = "https://authors.library.caltech.edu/records/sbv93-m1c19", issn = "0002-7863", doi = "10.1021/jacs.1c03007", volume = "143", number = "25", pmcid = "PMC8720499", pages = "9478-9488" } @article{https://authors.library.caltech.edu/records/rnnxe-dkx04, authors = "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.", title = "Short-lived metal-centered excited state initiates iron-methionine photodissociation in ferrous cytochrome c", journal = "Nature Communications", publisher = "Nature Publishing Group", year = "2021", url = "https://resolver.caltech.edu/CaltechAUTHORS:20210223-105233904", id = "https://authors.library.caltech.edu/records/rnnxe-dkx04", issn = "2041-1723", doi = "10.1038/s41467-021-21423-w", volume = "12", pages = "Art. No. 1086" } @article{https://authors.library.caltech.edu/records/mq2ym-ftc85, authors = "Cagan, David A. and Stroscio, Gautam D. and Cusumano, Alexander Q. and Hadt, Ryan G.", title = "Multireference Description of Nickel-Aryl Homolytic Bond Dissociation Processes in Photoredox Catalysis", journal = "Journal of Physical Chemistry A", publisher = "American Chemical Society", year = "2020", url = "https://resolver.caltech.edu/CaltechAUTHORS:20200925-135425759", id = "https://authors.library.caltech.edu/records/mq2ym-ftc85", issn = "1089-5639", doi = "10.1021/acs.jpca.0c08646", volume = "124", number = "48", pages = "9915-9922" } @article{https://authors.library.caltech.edu/records/9t53z-44f43, authors = "Ribson, Ryan D. and Choi, Gyeongshin and Hadt, Ryan G. and Agapie, Theodor", title = "Controlling Singlet Fission with Coordination Chemistry-Induced Assembly of Dipyridyl Pyrrole Bipentacenes", journal = "ACS Central Science", publisher = "American Chemical Society", year = "2020", url = "https://resolver.caltech.edu/CaltechAUTHORS:20200728-104820571", id = "https://authors.library.caltech.edu/records/9t53z-44f43", issn = "2374-7943", doi = "10.1021/acscentsci.0c01044", volume = "6", number = "11", pmcid = "PMC7706079", pages = "2088-2096" } @article{https://authors.library.caltech.edu/records/sbacm-vqh42, authors = "Follmer, Alec H. and Ribson, Ryan D. and Oyala, Paul H. and Chen, Grace Y. and Hadt, Ryan G.", 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", publisher = "American Chemical Society", year = "2020", url = "https://resolver.caltech.edu/CaltechAUTHORS:20201028-153430407", id = "https://authors.library.caltech.edu/records/sbacm-vqh42", issn = "1089-5639", doi = "10.1021/acs.jpca.0c07860", volume = "124", number = "44", pages = "9252-9260" } @article{https://authors.library.caltech.edu/records/vf5bm-j1023, authors = "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.", title = "Electronic Structures, Spectroscopy, and Electrochemistry of [M(diimine)(CN-BR₃)₄]²⁻ (M = Fe, Ru; R = Ph, C₆F₅) Complexes", journal = "Inorganic Chemistry", publisher = "American Chemical Society", year = "2020", url = "https://resolver.caltech.edu/CaltechAUTHORS:20200626-103612516", id = "https://authors.library.caltech.edu/records/vf5bm-j1023", issn = "0020-1669", doi = "10.1021/acs.inorgchem.0c00632", volume = "59", number = "14", pages = "9594-9604" } @article{https://authors.library.caltech.edu/records/6qaxn-c4d10, authors = "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.", title = "Template-stabilized oxidic nickel oxygen evolution catalysts", journal = "Proceedings of the National Academy of Sciences of the United States of America", publisher = "National Academy of Sciences", year = "2020", url = "https://resolver.caltech.edu/CaltechAUTHORS:20200708-071419168", id = "https://authors.library.caltech.edu/records/6qaxn-c4d10", issn = "0027-8424", doi = "10.1073/pnas.2001529117", volume = "117", number = "28", pmcid = "PMC7368284", pages = "16187-16192" } @article{https://authors.library.caltech.edu/records/qmbwj-gdb97, authors = "Stroscio, Gautam D. and Srnec, Martin and Hadt, Ryan G.", title = "Multireference Ground and Excited State Electronic Structures of Free- versus Iron Porphyrin-Carbenes", journal = "Inorganic Chemistry", publisher = "American Chemical Society", year = "2020", url = "https://resolver.caltech.edu/CaltechAUTHORS:20200129-130658853", id = "https://authors.library.caltech.edu/records/qmbwj-gdb97", issn = "0020-1669", doi = "10.1021/acs.inorgchem.0c00249", volume = "59", number = "13", pages = "8707-8715" } @article{https://authors.library.caltech.edu/records/ve0qg-hn036, authors = "Higdon, Nicholas J. and Barth, Alexandra T. and Kozlowski, Patryk T. and Hadt, Ryan G.", title = "Spin-Phonon Coupling and Dynamic Zero-Field Splitting Contributions to Spin Conversion Processes in Iron(II) Complexes", journal = "Journal of Chemical Physics", publisher = "American Institute of Physics", year = "2020", url = "https://resolver.caltech.edu/CaltechAUTHORS:20200303-160403611", id = "https://authors.library.caltech.edu/records/ve0qg-hn036", issn = "0021-9606", doi = "10.1063/5.0006361", volume = "152", number = "20", pages = "Art. No. 204306" } @article{https://authors.library.caltech.edu/records/5jva2-07809, authors = "Mirzoyan, Ruben and Hadt, Ryan G.", title = "The Dynamic Ligand Field of a Molecular Qubit: Decoherence Through Spin–Phonon Coupling", journal = "Physical Chemistry Chemical Physics", publisher = "Royal Society of Chemistry", year = "2020", url = "https://resolver.caltech.edu/CaltechAUTHORS:20191105-101953113", id = "https://authors.library.caltech.edu/records/5jva2-07809", issn = "1463-9076", doi = "10.1039/D0CP00852D", volume = "22", number = "20", pages = "11249-11265" } @article{https://authors.library.caltech.edu/records/tm16c-9gz24, authors = "Jette, Carina I. and Tong, Z. Jaron and Hadt, Ryan G. and Stoltz, Brian M.", title = "Copper-Catalyzed Enantioselective Allylic Alkylation with a γ-Butyrolactone-Derived Silyl Ketene Acetal", journal = "Angewandte Chemie International Edition", publisher = "Wiley", year = "2020", url = "https://resolver.caltech.edu/CaltechAUTHORS:20191120-075819004", id = "https://authors.library.caltech.edu/records/tm16c-9gz24", issn = "1433-7851", doi = "10.1002/anie.201912618", volume = "59", number = "5", pmcid = "PMC7051182", pages = "2033-2038" } @article{https://authors.library.caltech.edu/records/4pwtt-2wa91, authors = "Stroscio, Gautam D. and Ribson, Ryan D. and Hadt, Ryan G.", title = "Quantifying Entatic States in Photophysical Processes: Applications to Copper Photosensitizers", journal = "Inorganic Chemistry", publisher = "American Chemical Society", year = "2019", url = "https://resolver.caltech.edu/CaltechAUTHORS:20191126-105444590", id = "https://authors.library.caltech.edu/records/4pwtt-2wa91", issn = "0020-1669", doi = "10.1021/acs.inorgchem.9b02976", volume = "58", number = "24", pages = "16800-16817" } @article{https://authors.library.caltech.edu/records/armb0-w8x52, authors = "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.", 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", publisher = "National Academy of Sciences", year = "2018", url = "https://resolver.caltech.edu/CaltechAUTHORS:20181115-101001408", id = "https://authors.library.caltech.edu/records/armb0-w8x52", issn = "0027-8424", doi = "10.1073/pnas.1813849115", volume = "115", number = "48", pmcid = "PMC6275498", pages = "12124-12129" } @article{https://authors.library.caltech.edu/records/18c2t-e3g18, authors = "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.", title = "The Nature of the Long-Lived Excited State in a Ni^(II) Phthalocyanine Complex Investigated by X-Ray Transient Absorption Spectroscopy", journal = "ChemSusChem", publisher = "Wiley", year = "2018", url = "https://resolver.caltech.edu/CaltechAUTHORS:20200410-115330197", id = "https://authors.library.caltech.edu/records/18c2t-e3g18", issn = "1864-5631", doi = "10.1002/cssc.201800777", volume = "11", number = "14", pages = "2421-2428" } @article{https://authors.library.caltech.edu/records/73rvr-y1783, authors = "Hayes, Dugan and Kohler, Lars and Hadt, Ryan G. and Zhang, Xiaoyi and Liu, Cunming and Mulfort, Karen L. and Chen, Lin X.", title = "Excited state electron and energy relays in supramolecular dinuclear complexes revealed by ultrafast optical and X-ray transient absorption spectroscopy", journal = "Chemical Science", publisher = "Royal Society of Chemistry", year = "2018", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-093858300", id = "https://authors.library.caltech.edu/records/73rvr-y1783", issn = "2041-6520", doi = "10.1039/C7SC04055E", volume = "9", number = "4", pmcid = "PMC5873173", pages = "860-875" } @article{https://authors.library.caltech.edu/records/c52jc-y8w55, authors = "Hadt, Ryan G.", 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", publisher = "International Union of Crystallography", year = "2017", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180619-090044704", id = "https://authors.library.caltech.edu/records/c52jc-y8w55", issn = "0108-7673", volume = "73", number = "a1", pages = "Art. No. a152" } @article{https://authors.library.caltech.edu/records/e6wy7-vat89, authors = "Kohler, Lars and Hadt, Ryan G. and Hayes, Dugan and Chen, Lin X. and Mulfort, Karen L.", title = "Synthesis, structure, and excited state kinetics of heteroleptic Cu(I) complexes with a new sterically demanding phenanthroline ligand", journal = "Dalton Transactions", publisher = "Royal Society of Chemistry", year = "2017", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-141349167", id = "https://authors.library.caltech.edu/records/e6wy7-vat89", issn = "1477-9226", doi = "10.1039/c7dt02476b", volume = "46", number = "38", pages = "13088-13100" } @article{https://authors.library.caltech.edu/records/kn8q2-1h959, authors = "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.", 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", publisher = "IOP", year = "2017", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-074847743", id = "https://authors.library.caltech.edu/records/kn8q2-1h959", issn = "0953-4075", doi = "10.1088/1361-6455/aa7b97", volume = "50", number = "15", pages = "Art. No. 154006" } @article{https://authors.library.caltech.edu/records/5qhvb-3gx64, authors = "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.", title = "Ligand manipulation of charge transfer excited state relaxation and spin crossover in [Fe(2,2'-bipyridine)\_2(CN)\_2]", journal = "Structural Dynamics", publisher = "American Institute of Physics", year = "2017", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-100432522", id = "https://authors.library.caltech.edu/records/5qhvb-3gx64", issn = "2329-7778", doi = "10.1063/1.4985017", volume = "4", number = "4", pmcid = "PMC5461172", pages = "Art. No. 044030" } @article{https://authors.library.caltech.edu/records/ck882-wvy40, authors = "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.", title = "Metalloprotein entatic control of ligand-metal bonds quantified by ultrafast x-ray spectroscopy", journal = "Science", publisher = "American Association for the Advancement of Science", year = "2017", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-094721524", id = "https://authors.library.caltech.edu/records/ck882-wvy40", issn = "0036-8075", doi = "10.1126/science.aam6203", volume = "356", number = "6344", pmcid = "PMC5706643", pages = "1276-1280" } @article{https://authors.library.caltech.edu/records/s218c-6n284, authors = "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.", 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", publisher = "National Academy of Sciences", year = "2017", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-101929196", id = "https://authors.library.caltech.edu/records/s218c-6n284", issn = "0027-8424", doi = "10.1073/pnas.1701816114", volume = "114", number = "15", pmcid = "PMC5393202", pages = "3855-3860" } @article{https://authors.library.caltech.edu/records/gybdh-hk812, authors = "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.", 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", publisher = "National Academy of Sciences", year = "2017", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-082036774", id = "https://authors.library.caltech.edu/records/gybdh-hk812", issn = "0027-8424", doi = "10.1073/pnas.1620787114", volume = "114", number = "7", pmcid = "PMC5321006", pages = "1486-1491" } @article{https://authors.library.caltech.edu/records/ekdeb-wnj59, authors = "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.", title = "Manipulating charge transfer excited state relaxation and spin crossover in iron coordination complexes with ligand substitution", journal = "Chemical Science", publisher = "Royal Society of Chemistry", year = "2017", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-103705875", id = "https://authors.library.caltech.edu/records/ekdeb-wnj59", issn = "2041-6520", doi = "10.1039/c6sc03070j", volume = "8", number = "1", pmcid = "PMC5341207", pages = "515-523" } @article{https://authors.library.caltech.edu/records/n7t6g-0dp84, authors = "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.", 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", publisher = "Royal Society of Chemistry", year = "2016", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-143751095", id = "https://authors.library.caltech.edu/records/n7t6g-0dp84", issn = "1754-5692", doi = "10.1039/C6EE02266A", volume = "2016", number = "12", pages = "3754-3769" } @article{https://authors.library.caltech.edu/records/wd2fy-2q505, authors = "Solomon, Edward I. and Hadt, Ryan G. and Snyder, Benjamin E. R.", title = "Activating Metal Sites for Biological Electron Transfer", journal = "Israel Journal of Chemistry", publisher = "Wiley", year = "2016", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-105511400", id = "https://authors.library.caltech.edu/records/wd2fy-2q505", issn = "0021-2148", doi = "10.1002/ijch.201600016", volume = "56", number = "9-10", pmcid = "PMC5517049", pages = "649-659" } @article{https://authors.library.caltech.edu/records/8hqe8-jr276, authors = "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.", 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", publisher = "American Chemical Society", year = "2016", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-142321731", id = "https://authors.library.caltech.edu/records/8hqe8-jr276", issn = "0002-7863", doi = "10.1021/jacs.6b04663", volume = "138", number = "34", pages = "11017-11030" } @article{https://authors.library.caltech.edu/records/z45nc-0p271, authors = "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", title = "Photocatalysts Based on Cobalt-Chelating Conjugated Polymers for Hydrogen Evolution from Water", journal = "Chemistry of Materials", publisher = "American Chemical Society", year = "2016", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-081256898", id = "https://authors.library.caltech.edu/records/z45nc-0p271", issn = "0897-4756", doi = "10.1021/acs.chemmater.6b01477", volume = "28", number = "15", pages = "5394-5399" } @article{https://authors.library.caltech.edu/records/htey7-z1f22, authors = "Hwang, Seung Jun and Anderson, Bryce L. and Powers, David C. and Maher, Andrew G. and Hadt, Ryan G. and Nocera, Daniel G.", title = "Halogen Photoelimination from Monomeric Nickel(III) Complexes Enabled by the Secondary Coordination Sphere", journal = "Organometallics", publisher = "American Chemical Society", year = "2015", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-080212389", id = "https://authors.library.caltech.edu/records/htey7-z1f22", issn = "0276-7333", doi = "10.1021/acs.organomet.5b00568", volume = "34", number = "19", pages = "4766-4774" } @article{https://authors.library.caltech.edu/records/10w59-g8148, authors = "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.", title = "Trap-Free Halogen Photoelimination from Mononuclear Ni(III) Complexes", journal = "Journal of the American Chemical Society", publisher = "American Chemical Society", year = "2015", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-143806306", id = "https://authors.library.caltech.edu/records/10w59-g8148", issn = "0002-7863", doi = "10.1021/jacs.5b03192", volume = "137", number = "20", pages = "6472-6475" } @article{https://authors.library.caltech.edu/records/cmz66-w7f65, authors = "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.", title = "Spectroscopic definition of the copper active sites in mordenite: selective methane oxidation", journal = "Journal of the American Chemical Society", publisher = "American Chemical Society", year = "2015", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-144351445", id = "https://authors.library.caltech.edu/records/cmz66-w7f65", issn = "0002-7863", doi = "10.1021/jacs.5b02817", volume = "137", number = "19", pages = "6383-6392" } @article{https://authors.library.caltech.edu/records/a0gf8-skz54, authors = "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.", 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", publisher = "American Chemical Society", year = "2014", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-110306586", id = "https://authors.library.caltech.edu/records/a0gf8-skz54", issn = "0002-7863", doi = "10.1021/ja5100367", volume = "136", number = "52", pmcid = "PMC4291809", pages = "18087-18099" } @article{https://authors.library.caltech.edu/records/tw6qk-fsa83, authors = "Hadt, Ryan G. and Gorelsky, Serge I. and Solomon, Edward I.", title = "Anisotropic covalency contributions to superexchange pathways in type one copper active sites", journal = "Journal of the American Chemical Society", publisher = "American Chemical Society", year = "2014", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-111103819", id = "https://authors.library.caltech.edu/records/tw6qk-fsa83", issn = "0002-7863", doi = "10.1021/ja508361h", volume = "136", number = "42", pmcid = "PMC4210080", pages = "15034-15045" } @article{https://authors.library.caltech.edu/records/2fgww-vh858, authors = "Nguyen, Andy I. and Hadt, Ryan G. and Solomon, Edward I. and Tilley, T. Don", title = "Efficient C-H Bond Activations O\_2 Cleavage by a Dianionic Cobalt(II) Complex", journal = "Chemical Science", publisher = "Royal Society of Chemistry", year = "2014", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-111659936", id = "https://authors.library.caltech.edu/records/2fgww-vh858", issn = "2041-6520", doi = "10.1039/C4SC00108G", volume = "5", number = "7", pmcid = "PMC4111274", pages = "2874-2878" } @article{https://authors.library.caltech.edu/records/3vxdk-05338, authors = "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.", title = "Tracking excited-state charge and spin dynamics in iron coordination complexes", journal = "Nature", publisher = "Nature Publishing Group", year = "2014", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-112437637", id = "https://authors.library.caltech.edu/records/3vxdk-05338", issn = "0028-0836", doi = "10.1038/nature13252", volume = "509", number = "7500", pmcid = "PMC5668134", pages = "345-348" } @article{https://authors.library.caltech.edu/records/ypn9n-msy98, authors = "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", title = "Copper active sites in biology", journal = "Chemical Reviews", publisher = "American Chemical Society", year = "2014", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-113703018", id = "https://authors.library.caltech.edu/records/ypn9n-msy98", issn = "0009-2665", doi = "10.1021/cr400327t", volume = "114", number = "7", pmcid = "PMC4040215", pages = "3659-3853" } @article{https://authors.library.caltech.edu/records/hbh99-gbb98, authors = "Tsai, Ming-Li and Hadt, Ryan G. and Vanelderen, Pieter and Sels, Bert F. and Schoonheydt, Robert A. and Solomon, Edward I.", 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", publisher = "American Chemical Society", year = "2014", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-145030835", id = "https://authors.library.caltech.edu/records/hbh99-gbb98", issn = "0002-7863", doi = "10.1021/ja4113808", volume = "136", number = "9", pages = "3522-3529" } @article{https://authors.library.caltech.edu/records/1s9q4-4b561, authors = "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", 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", publisher = "National Academy of Sciences", year = "2014", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-114523845", id = "https://authors.library.caltech.edu/records/1s9q4-4b561", issn = "0027-8424", doi = "10.1073/pnas.1316483111", volume = "111", number = "3", pmcid = "PMC3903256", pages = "924-929" } @article{https://authors.library.caltech.edu/records/8tkwr-1s303, authors = "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.", title = "Spectroscopy and redox chemistry of copper in mordenite", journal = "ChemPhysChem", publisher = "Wiley", year = "2014", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-145906146", id = "https://authors.library.caltech.edu/records/8tkwr-1s303", issn = "1439-4235", doi = "10.1002/cphc.201300730", volume = "15", number = "1", pages = "91-99" } @article{https://authors.library.caltech.edu/records/t4z40-qxs06, authors = "Tsai, Ming-Li and Hadt, Ryan G. and Marshall, Nicholas M. and Wilson, Tiffany D. and Lu, Yi and Solomon, Edward I.", 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", publisher = "National Academy of Sciences", year = "2013", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-125104163", id = "https://authors.library.caltech.edu/records/t4z40-qxs06", issn = "0027-8424", doi = "10.1073/pnas.1314242110", volume = "110", number = "36", pmcid = "PMC3767567", pages = "14658-14663" } @article{https://authors.library.caltech.edu/records/q1sgq-afa33, authors = "Hadt, Ryan G. and Sun, Ning and Marshall, Nicholas M. and Hodgson, Keith O. and Hedman, Britt and Lu, Yi and Solomon, Edward I.", 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", publisher = "American Chemical Society", year = "2012", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-125943278", id = "https://authors.library.caltech.edu/records/q1sgq-afa33", issn = "0002-7863", doi = "10.1021/ja306438n", volume = "134", number = "40", pmcid = "PMC3506006", pages = "16701-16716" } @article{https://authors.library.caltech.edu/records/3rkwn-j5c80, authors = "Hadt, Ryan G. and Xie, Xiangjin and Pauleta, Sofia R. and Moura, Isabel and Solomon, Edward I.", 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", publisher = "Elsevier", year = "2012", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-150514757", id = "https://authors.library.caltech.edu/records/3rkwn-j5c80", issn = "0162-0134", doi = "10.1016/j.jinorgbio.2012.03.006", volume = "115", pages = "155-162" } @article{https://authors.library.caltech.edu/records/ja2ak-zrs46, authors = "Durand, Fabien and Kjaergaard, Christian Hauge and Suraniti, Emmanuel and Gounel, Sébastien and Hadt, Ryan G. and Solomon, Edward I. and Mano, Nicolas", title = "Bilirubin oxidase from Bacillus pumilus: a promising enzyme for the elaboration of efficient cathodes in biofuel cells", journal = "Biosensors \& Bioelectronics", publisher = "Elsevier", year = "2012", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-134152515", id = "https://authors.library.caltech.edu/records/ja2ak-zrs46", issn = "1873-4235", doi = "10.1016/j.bios.2012.02.033", volume = "35", number = "1", pmcid = "PMC3724473", pages = "140-146" } @article{https://authors.library.caltech.edu/records/t4gp5-w1h18, authors = "Vanelderen, Pieter and Hadt, Ryan G. and Smeets, Pieter J. and Solomon, Edward I. and Schoonheydt, Robert A. and Sels, Bert F.", title = "Cu-ZSM-5: A biomimetic inorganic model for methane oxidation", journal = "Journal of Catalysis", publisher = "Elsevier", year = "2011", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-134854687", id = "https://authors.library.caltech.edu/records/t4gp5-w1h18", issn = "0021-9517", doi = "10.1016/j.jcat.2011.10.009", volume = "284", number = "2", pmcid = "PMC3593946", pages = "157-164" } @article{https://authors.library.caltech.edu/records/4d4dv-hbd28, authors = "Nemykin, Victor N. and Hadt, Ryan G.", 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", publisher = "American Chemical Society", year = "2010", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-154059709", id = "https://authors.library.caltech.edu/records/4d4dv-hbd28", issn = "1089-5639", doi = "10.1021/jp1083828", volume = "114", number = "45", pages = "12062-12066" } @article{https://authors.library.caltech.edu/records/4yxj4-ap966, authors = "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.", title = "Oxygen precursor to the reactive intermediate in methanol synthesis by Cu-ZSM-5", journal = "Journal of the American Chemical Society", publisher = "American Chemical Society", year = "2010", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-135652810", id = "https://authors.library.caltech.edu/records/4yxj4-ap966", issn = "0002-7863", doi = "10.1021/ja106283u", volume = "132", number = "42", pmcid = "PMC2974621", pages = "14736-14738" } @article{https://authors.library.caltech.edu/records/hehvb-a1p29, authors = "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", title = "Long-range electronic communication in free-base meso-poly(ferrocenyl)-containing porphyrins", journal = "Inorganic Chemistry", publisher = "American Chemical Society", year = "2010", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-154650771", id = "https://authors.library.caltech.edu/records/hehvb-a1p29", issn = "0020-1669", doi = "10.1021/ic101012a", volume = "49", number = "16", pages = "7497-7509" } @article{https://authors.library.caltech.edu/records/vaa6f-yt195, authors = "Hadt, Ryan G. and Nemykin, Victor N. and Olsen, Joseph G. and Basu, Partha", 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", publisher = "Royal Society of Chemistry", year = "2009", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-140553392", id = "https://authors.library.caltech.edu/records/vaa6f-yt195", issn = "1463-9076", doi = "10.1039/b905554a", volume = "11", number = "44", pmcid = "PMC2879133", pages = "10377-10384" } @article{https://authors.library.caltech.edu/records/h2py3-yba89, authors = "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.", 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", publisher = "American Chemical Society", year = "2009", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-155637465", id = "https://authors.library.caltech.edu/records/h2py3-yba89", issn = "0002-7863", doi = "10.1021/ja905310h", volume = "131", number = "41", pages = "14969-14978" } @article{https://authors.library.caltech.edu/records/g6kqh-j5w80, authors = "Xie, Xiangjin and Hadt, Ryan G. and Pauleta, Sofia R. and González, Pablo J. and Un, Sun and Moura, Isabel and Solomon, Edward I.", title = "A variable temperature spectroscopic study on Paracoccus pantotrophus pseudoazurin: protein constraints on the blue Cu site", journal = "Journal of Inorganic Biochemistry", publisher = "Elsevier", year = "2009", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-155638279", id = "https://authors.library.caltech.edu/records/g6kqh-j5w80", issn = "0162-0134", doi = "10.1016/j.jinorgbio.2009.04.012", volume = "103", number = "10", pages = "1307-1313" } @article{https://authors.library.caltech.edu/records/h6xkg-g0t31, authors = "Hadt, Ryan G. and Nemykin, Victor N.", title = "Exploring the ground and excited state potential energy landscapes of the mixed-valence biferrocenium complex", journal = "Inorganic Chemistry", publisher = "American Chemical Society", year = "2009", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-155639069", id = "https://authors.library.caltech.edu/records/h6xkg-g0t31", issn = "0020-1669", doi = "10.1021/ic801801m", volume = "48", number = "9", pages = "3982-3992" } @article{https://authors.library.caltech.edu/records/7nz49-28y93, authors = "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.", title = "Metal-free and transition-metal tetraferrocenylporphyrins part 1: synthesis, characterization, electronic structure, and conformational flexibility of neutral compounds", journal = "Dalton Transactions", publisher = "Royal Society of Chemistry", year = "2008", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-161521832", id = "https://authors.library.caltech.edu/records/7nz49-28y93", issn = "1477-9226", doi = "10.1039/b805156a", volume = "2008", number = "32", pages = "4233-4246" } @article{https://authors.library.caltech.edu/records/2jet2-57j62, authors = "Nemykin, Victor N. and Hadt, Ryan G. and Belosludov, Rodion V. and Mizuseki, Hiroshi and Kawazoe, Yoshiyuki", 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", publisher = "American Chemical Society", year = "2007", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-161522631", id = "https://authors.library.caltech.edu/records/2jet2-57j62", issn = "1089-5639", doi = "10.1021/jp0759731", volume = "111", number = "50", pages = "12901-12913" } @article{https://authors.library.caltech.edu/records/6wg8j-a5907, authors = "Nemykin, Victor N. and Makarova, Elena A. and Grosland, Jeffrey O. and Hadt, Ryan G. and Koposov, Alexey Y.", title = "Preparation, characterization, molecular and electronic structures, TDDFT, and TDDFT/PCM study of the solvatochromism in cyanovinylferrocenes", journal = "Inorganic Chemistry", publisher = "American Chemical Society", year = "2007", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-161523450", id = "https://authors.library.caltech.edu/records/6wg8j-a5907", issn = "0020-1669", doi = "10.1021/ic700558v", volume = "46", number = "23", pages = "9591-9601" } @article{https://authors.library.caltech.edu/records/g91mm-d2v22, authors = "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.", 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", publisher = "Royal Society of Chemistry", year = "2007", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-161525030", id = "https://authors.library.caltech.edu/records/g91mm-d2v22", issn = "1477-9226", doi = "10.1039/b703581k", volume = "2007", number = "31", pages = "3378-3389" } @article{https://authors.library.caltech.edu/records/r3kf8-sn914, authors = "Nemykin, Victor N. and Hadt, Ryan G.", 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", publisher = "American Chemical Society", year = "2006", url = "https://resolver.caltech.edu/CaltechAUTHORS:20180612-161524242", id = "https://authors.library.caltech.edu/records/r3kf8-sn914", issn = "0020-1669", doi = "10.1021/ic061176q", volume = "45", number = "20", pages = "8297-8307" }