Number of items: 59.
2020
Cagan, David A.
and
Stroscio, Gautam D.
and
Cusumano, Alexander Q.
et al.
(2020)
Multireference Description of Nickel-Aryl Homolytic Bond Dissociation Processes in Photoredox Catalysis.
Journal of Physical Chemistry A, 124
(48).
pp. 9915-9922.
ISSN 1089-5639.
https://resolver.caltech.edu/CaltechAUTHORS:20200925-135425759
Ribson, Ryan D.
and
Choi, Gyeongshin
and
Hadt, Ryan G.
et al.
(2020)
Controlling Singlet Fission with Coordination Chemistry-Induced Assembly of Dipyridyl Pyrrole Bipentacenes.
ACS Central Science, 6
(11).
pp. 2088-2096.
ISSN 2374-7943.
PMCID PMC7706079.
https://resolver.caltech.edu/CaltechAUTHORS:20200728-104820571
Follmer, Alec H.
and
Ribson, Ryan D.
and
Oyala, Paul H.
et al.
(2020)
Understanding Covalent versus Spin–Orbit Coupling Contributions to Temperature-Dependent Electron Spin Relaxation in Cupric and Vanadyl Phthalocyanines.
Journal of Physical Chemistry A, 124
(44).
pp. 9252-9260.
ISSN 1089-5639.
https://resolver.caltech.edu/CaltechAUTHORS:20201028-153430407
Ngo, Danh X.
and
Del Ciello, Sarah A.
and
Barth, Alexandra T.
et al.
(2020)
Electronic Structures, Spectroscopy, and Electrochemistry of [M(diimine)(CN-BR₃)₄]²⁻ (M = Fe, Ru; R = Ph, C₆F₅) Complexes.
Inorganic Chemistry, 59
(14).
pp. 9594-9604.
ISSN 0020-1669.
https://resolver.caltech.edu/CaltechAUTHORS:20200626-103612516
Li, Nancy
and
Keane, Thomas P.
and
Veroneau, Samuel S.
et al.
(2020)
Template-stabilized oxidic nickel oxygen evolution catalysts.
Proceedings of the National Academy of Sciences of the United States of America, 117
(28).
pp. 16187-16192.
ISSN 0027-8424.
PMCID PMC7368284.
https://resolver.caltech.edu/CaltechAUTHORS:20200708-071419168
Stroscio, Gautam D. and Srnec, Martin and Hadt, Ryan G.
(2020)
Multireference Ground and Excited State Electronic Structures of Free- versus Iron Porphyrin-Carbenes.
Inorganic Chemistry, 59
(13).
pp. 8707-8715.
ISSN 0020-1669.
https://resolver.caltech.edu/CaltechAUTHORS:20200129-130658853
Higdon, Nicholas J.
and
Barth, Alexandra T.
and
Kozlowski, Patryk T.
et al.
(2020)
Spin-Phonon Coupling and Dynamic Zero-Field Splitting Contributions to Spin Conversion Processes in Iron(II) Complexes.
Journal of Chemical Physics, 152
(20).
Art. No. 204306.
ISSN 0021-9606.
https://resolver.caltech.edu/CaltechAUTHORS:20200303-160403611
Mirzoyan, Ruben and Hadt, Ryan G.
(2020)
The Dynamic Ligand Field of a Molecular Qubit: Decoherence Through Spin–Phonon Coupling.
Physical Chemistry Chemical Physics, 22
(20).
pp. 11249-11265.
ISSN 1463-9076.
https://resolver.caltech.edu/CaltechAUTHORS:20191105-101953113
Hadt, Ryan G.
(2020)
Dynamic ligand fields in qubits.
In: 259th ACS National Meeting & Exposition, 22-26 March 2020, Philadelphia, PA.
https://resolver.caltech.edu/CaltechAUTHORS:20200219-080934341
Mirzoyan, Ruben and Hadt, Ryan G.
(2020)
Dynamic ligand fields of molecular qubits: Decoherence through spin-phonon coupling.
In: 259th ACS National Meeting & Exposition, 22-26 March 2020, Philadelphia, PA.
https://resolver.caltech.edu/CaltechAUTHORS:20200219-080627080
Ribson, Ryan and Agapie, Theodor and Hadt, Ryan G.
(2020)
Influencing singlet fission via coordination chemistry in 2,5-di(2-pyridyl)pyrrole-linked bipentacenes.
In: 259th ACS National Meeting & Exposition, 22-26 March 2020, Philadelphia, PA.
https://resolver.caltech.edu/CaltechAUTHORS:20200219-150326751
Hadt, Ryan G.
(2020)
Photophysical entatic states in transition metal complexes for solar energy conversion.
In: 259th ACS National Meeting & Exposition, 22-26 March 2020, Philadelphia, PA.
https://resolver.caltech.edu/CaltechAUTHORS:20200219-084759545
Stroscio, Gautam D. and Ribson, Ryan and Hadt, Ryan G.
(2020)
Quantifying entatic states in photophysical processes: Applications to copper photosensitizers.
In: 259th ACS National Meeting & Exposition, 22-26 March 2020, Philadelphia, PA.
https://resolver.caltech.edu/CaltechAUTHORS:20200219-082952709
Jette, Carina I.
and
Tong, Z. Jaron
and
Hadt, Ryan G.
et al.
(2020)
Copper-Catalyzed Enantioselective Allylic Alkylation with a γ-Butyrolactone-Derived Silyl Ketene Acetal.
Angewandte Chemie International Edition, 59
(5).
pp. 2033-2038.
ISSN 1433-7851.
PMCID PMC7051182 .
https://resolver.caltech.edu/CaltechAUTHORS:20191120-075819004
2019
Stroscio, Gautam D. and Ribson, Ryan D. and Hadt, Ryan G.
(2019)
Quantifying Entatic States in Photophysical Processes: Applications to Copper Photosensitizers.
Inorganic Chemistry, 58
(24).
pp. 16800-16817.
ISSN 0020-1669.
https://resolver.caltech.edu/CaltechAUTHORS:20191126-105444590
2018
Snyder, Benjamin E. R.
and
Bols, Max L.
and
Rhoda, Hannah M.
et al.
(2018)
Mechanism of selective benzene hydroxylation catalyzed by iron-containing zeolites.
Proceedings of the National Academy of Sciences of the United States of America, 115
(48).
pp. 12124-12129.
ISSN 0027-8424.
PMCID PMC6275498.
https://resolver.caltech.edu/CaltechAUTHORS:20181115-101001408
Hong, Jiyun
and
Kelley, Matthew S.
and
Shelby, Megan L.
et al.
(2018)
The Nature of the Long-Lived Excited State in a Ni^(II) Phthalocyanine Complex Investigated by X-Ray Transient Absorption Spectroscopy.
ChemSusChem, 11
(14).
pp. 2421-2428.
ISSN 1864-5631.
https://resolver.caltech.edu/CaltechAUTHORS:20200410-115330197
Hayes, Dugan
and
Kohler, Lars
and
Hadt, Ryan G.
et al.
(2018)
Excited state electron and energy relays in supramolecular dinuclear complexes revealed by ultrafast optical and X-ray transient absorption spectroscopy.
Chemical Science, 9
(4).
pp. 860-875.
ISSN 2041-6520.
PMCID PMC5873173.
https://resolver.caltech.edu/CaltechAUTHORS:20180612-093858300
2017
Hadt, Ryan G.
(2017)
High-valent states in cobalt and nickel oxygen-evolving catalysts and their role in O—O bond formation.
Acta Crystallographica. Section A, Foundations of Crystallography, 73
(a1).
Art. No. a152.
ISSN 0108-7673.
https://resolver.caltech.edu/CaltechAUTHORS:20180619-090044704
Kohler, Lars
and
Hadt, Ryan G.
and
Hayes, Dugan
et al.
(2017)
Synthesis, structure, and excited state kinetics of heteroleptic Cu(I) complexes with a new sterically demanding phenanthroline ligand.
Dalton Transactions, 46
(38).
pp. 13088-13100.
ISSN 1477-9226.
https://resolver.caltech.edu/CaltechAUTHORS:20180612-141349167
Kelley, Matthew S.
and
Shelby, Megan L.
and
Mara, Michael W.
et al.
(2017)
Ultrafast dynamics of two copper bis-phenanthroline complexes measured by x-ray transient absorption spectroscopy.
Journal of Physics B: Atomic, Molecular and Optical Physics, 50
(15).
Art. No. 154006.
ISSN 0953-4075.
https://resolver.caltech.edu/CaltechAUTHORS:20180612-074847743
Kjær, Kasper S.
and
Zhang, Wenkai
and
Alonso-Mori, Roberto
et al.
(2017)
Ligand manipulation of charge transfer excited state relaxation and spin crossover in [Fe(2,2'-bipyridine)_2(CN)_2].
Structural Dynamics, 4
(4).
Art. No. 044030.
ISSN 2329-7778.
PMCID PMC5461172.
https://resolver.caltech.edu/CaltechAUTHORS:20180612-100432522
Mara, Michael W.
and
Hadt, Ryan G.
and
Reinhard, Marco Eli
et al.
(2017)
Metalloprotein entatic control of ligand-metal bonds quantified by ultrafast x-ray spectroscopy.
Science, 356
(6344).
pp. 1276-1280.
ISSN 0036-8075.
PMCID PMC5706643.
https://resolver.caltech.edu/CaltechAUTHORS:20180612-094721524
Brodsky, Casey N.
and
Hadt, Ryan G.
and
Hayes, Dugan
et al.
(2017)
In situ characterization of cofacial Co(IV) centers in Co_4O_4 cubane: Modeling the high-valent active site in oxygen-evolving catalysts.
Proceedings of the National Academy of Sciences of the United States of America, 114
(15).
pp. 3855-3860.
ISSN 0027-8424.
PMCID PMC5393202.
https://resolver.caltech.edu/CaltechAUTHORS:20180612-101929196
Li, Nancy
and
Bediako, D. Kwabena
and
Hadt, Ryan G.
et al.
(2017)
Influence of iron doping on tetravalent nickel content in catalytic oxygen evolving films.
Proceedings of the National Academy of Sciences of the United States of America, 114
(7).
pp. 1486-1491.
ISSN 0027-8424.
PMCID PMC5321006.
https://resolver.caltech.edu/CaltechAUTHORS:20180612-082036774
Zhang, Wenkai
and
Kjær, Kasper S.
and
Alonso-Mori, Roberto
et al.
(2017)
Manipulating charge transfer excited state relaxation and spin crossover in iron coordination complexes with ligand substitution.
Chemical Science, 8
(1).
pp. 515-523.
ISSN 2041-6520.
PMCID PMC5341207.
https://resolver.caltech.edu/CaltechAUTHORS:20180612-103705875
2016
Hayes, Dugan
and
Hadt, Ryan G.
and
Emery, Jonathan D.
et al.
(2016)
Electronic and nuclear contributions to time-resolved optical and X-ray absorption spectra of hematite and insights into photoelectrochemical performance.
Energy and Environmental Science, 2016
(12).
pp. 3754-3769.
ISSN 1754-5692.
https://resolver.caltech.edu/CaltechAUTHORS:20180612-143751095
Solomon, Edward I. and Hadt, Ryan G. and Snyder, Benjamin E. R.
(2016)
Activating Metal Sites for Biological Electron Transfer.
Israel Journal of Chemistry, 56
(9-10).
pp. 649-659.
ISSN 0021-2148.
PMCID PMC5517049.
https://resolver.caltech.edu/CaltechAUTHORS:20180612-105511400
Hadt, Ryan G.
and
Hayes, Dugan
and
Brodsky, Casey N.
et al.
(2016)
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 of the American Chemical Society, 138
(34).
pp. 11017-11030.
ISSN 0002-7863.
https://resolver.caltech.edu/CaltechAUTHORS:20180612-142321731
Li, Lianwei
and
Hadt, Ryan G.
and
Yao, Shiyu
et al.
(2016)
Photocatalysts Based on Cobalt-Chelating Conjugated Polymers for Hydrogen Evolution from Water.
Chemistry of Materials, 28
(15).
pp. 5394-5399.
ISSN 0897-4756.
https://resolver.caltech.edu/CaltechAUTHORS:20180612-081256898
2015
Hwang, Seung Jun
and
Anderson, Bryce L.
and
Powers, David C.
et al.
(2015)
Halogen Photoelimination from Monomeric Nickel(III) Complexes Enabled by the Secondary Coordination Sphere.
Organometallics, 34
(19).
pp. 4766-4774.
ISSN 0276-7333.
https://resolver.caltech.edu/CaltechAUTHORS:20180612-080212389
Hwang, Seung Jun
and
Powers, David C.
and
Maher, Andrew G.
et al.
(2015)
Trap-Free Halogen Photoelimination from Mononuclear Ni(III) Complexes.
Journal of the American Chemical Society, 137
(20).
pp. 6472-6475.
ISSN 0002-7863.
https://resolver.caltech.edu/CaltechAUTHORS:20180612-143806306
Vanelderen, Pieter
and
Snyder, Benjamin E. R.
and
Tsai, Ming-Li
et al.
(2015)
Spectroscopic definition of the copper active sites in mordenite: selective methane oxidation.
Journal of the American Chemical Society, 137
(19).
pp. 6383-6392.
ISSN 0002-7863.
https://resolver.caltech.edu/CaltechAUTHORS:20180612-144351445
2014
Kroll, Thomas
and
Hadt, Ryan G.
and
Wilson, Samuel A.
et al.
(2014)
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 of the American Chemical Society, 136
(52).
pp. 18087-18099.
ISSN 0002-7863.
PMCID PMC4291809.
https://resolver.caltech.edu/CaltechAUTHORS:20180612-110306586
Hadt, Ryan G. and Gorelsky, Serge I. and Solomon, Edward I.
(2014)
Anisotropic covalency contributions to superexchange pathways in type one copper active sites.
Journal of the American Chemical Society, 136
(42).
pp. 15034-15045.
ISSN 0002-7863.
PMCID PMC4210080.
https://resolver.caltech.edu/CaltechAUTHORS:20180612-111103819
Vanelderen, Pieter
and
Hadt, Ryan G.
and
Kirschhock, Christine
et al.
(2014)
Reactive intermediates in Cu MOR zeolites for alkane oxidation.
In: 248th American Chemical Society National Meeting & Exposition, August 10-14, 2014, San Francisco, CA.
https://resolver.caltech.edu/CaltechAUTHORS:20180612-073202981
Nguyen, Andy I.
and
Hadt, Ryan G.
and
Solomon, Edward I.
et al.
(2014)
Efficient C-H Bond Activations O_2 Cleavage by a Dianionic Cobalt(II) Complex.
Chemical Science, 5
(7).
pp. 2874-2878.
ISSN 2041-6520.
PMCID PMC4111274.
https://resolver.caltech.edu/CaltechAUTHORS:20180612-111659936
Zhang, Wenkai
and
Alonso-Mori, Roberto
and
Bergmann, Uwe
et al.
(2014)
Tracking excited-state charge and spin dynamics in iron coordination complexes.
Nature, 509
(7500).
pp. 345-348.
ISSN 0028-0836.
PMCID PMC5668134.
https://resolver.caltech.edu/CaltechAUTHORS:20180612-112437637
Solomon, Edward I.
and
Heppner, David E.
and
Johnston, Esther M.
et al.
(2014)
Copper active sites in biology.
Chemical Reviews, 114
(7).
pp. 3659-3853.
ISSN 0009-2665.
PMCID PMC4040215.
https://resolver.caltech.edu/CaltechAUTHORS:20180612-113703018
Tsai, Ming-Li
and
Hadt, Ryan G.
and
Vanelderen, Pieter
et al.
(2014)
[Cu_2O]^(2+) active site formation in Cu-ZSM-5: geometric and electronic structure requirements for N_2O activation.
Journal of the American Chemical Society, 136
(9).
pp. 3522-3529.
ISSN 0002-7863.
https://resolver.caltech.edu/CaltechAUTHORS:20180612-145030835
Sieracki, Nathan A.
and
Tian, Shiliang
and
Hadt, Ryan G.
et al.
(2014)
Copper-sulfenate complex from oxidation of a cavity mutant of Pseudomonas aeruginosa azurin.
Proceedings of the National Academy of Sciences of the United States of America, 111
(3).
pp. 924-929.
ISSN 0027-8424.
PMCID PMC3903256.
https://resolver.caltech.edu/CaltechAUTHORS:20180612-114523845
Vanelderen, Pieter
and
Vancauwenbergh, Julie
and
Tsai, Ming-Li
et al.
(2014)
Spectroscopy and redox chemistry of copper in mordenite.
ChemPhysChem, 15
(1).
pp. 91-99.
ISSN 1439-4235.
https://resolver.caltech.edu/CaltechAUTHORS:20180612-145906146
2013
Tsai, Ming-Li
and
Hadt, Ryan G.
and
Marshall, Nicholas M.
et al.
(2013)
Axial interactions in the mixed-valent Cu_A active site and role of the axial methionine in electron transfer.
Proceedings of the National Academy of Sciences of the United States of America, 110
(36).
pp. 14658-14663.
ISSN 0027-8424.
PMCID PMC3767567.
https://resolver.caltech.edu/CaltechAUTHORS:20180612-125104163
2012
Hadt, Ryan G.
and
Sun, Ning
and
Marshall, Nicholas M.
et al.
(2012)
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 of the American Chemical Society, 134
(40).
pp. 16701-16716.
ISSN 0002-7863.
PMCID PMC3506006.
https://resolver.caltech.edu/CaltechAUTHORS:20180612-125943278
Hadt, Ryan G.
and
Xie, Xiangjin
and
Pauleta, Sofia R.
et al.
(2012)
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 of Inorganic Biochemistry, 115
.
pp. 155-162.
ISSN 0162-0134.
https://resolver.caltech.edu/CaltechAUTHORS:20180612-150514757
Durand, Fabien
and
Kjaergaard, Christian Hauge
and
Suraniti, Emmanuel
et al.
(2012)
Bilirubin oxidase from Bacillus pumilus: a promising enzyme for the elaboration of efficient cathodes in biofuel cells.
Biosensors & Bioelectronics, 35
(1).
pp. 140-146.
ISSN 1873-4235.
PMCID PMC3724473.
https://resolver.caltech.edu/CaltechAUTHORS:20180612-134152515
2011
Vanelderen, Pieter
and
Hadt, Ryan G.
and
Smeets, Pieter J.
et al.
(2011)
Cu-ZSM-5: A biomimetic inorganic model for methane oxidation.
Journal of Catalysis, 284
(2).
pp. 157-164.
ISSN 0021-9517.
PMCID PMC3593946.
https://resolver.caltech.edu/CaltechAUTHORS:20180612-134854687
2010
Nemykin, Victor N. and Hadt, Ryan G.
(2010)
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 of Physical Chemistry A, 114
(45).
pp. 12062-12066.
ISSN 1089-5639.
https://resolver.caltech.edu/CaltechAUTHORS:20180612-154059709
Smeets, Pieter J.
and
Hadt, Ryan G.
and
Woertink, Julia S.
et al.
(2010)
Oxygen precursor to the reactive intermediate in methanol synthesis by Cu-ZSM-5.
Journal of the American Chemical Society, 132
(42).
pp. 14736-14738.
ISSN 0002-7863.
PMCID PMC2974621.
https://resolver.caltech.edu/CaltechAUTHORS:20180612-135652810
Nemykin, Victor N.
and
Rohde, Gregory T.
and
Barrett, Christopher D.
et al.
(2010)
Long-range electronic communication in free-base meso-poly(ferrocenyl)-containing porphyrins.
Inorganic Chemistry, 49
(16).
pp. 7497-7509.
ISSN 0020-1669.
https://resolver.caltech.edu/CaltechAUTHORS:20180612-154650771
2009
Hadt, Ryan G.
and
Nemykin, Victor N.
and
Olsen, Joseph G.
et al.
(2009)
Comparative calculation of EPR spectral parameters in [Mo^VOX_4]^-, [Mo^VOX_5]^(2-), and [Mo^VOX_4(H_2O)]^- complexes.
Physical Chemistry Chemical Physics, 11
(44).
pp. 10377-10384.
ISSN 1463-9076.
PMCID PMC2879133.
https://resolver.caltech.edu/CaltechAUTHORS:20180612-140553392
Nemykin, Victor N.
and
Rohde, Gregory T.
and
Barrett, Christopher D.
et al.
(2009)
Electron-transfer processes in metal-free tetraferrocenylporphyrin. Understanding internal interactions to access mixed-valence States potentially useful for quantum cellular automata.
Journal of the American Chemical Society, 131
(41).
pp. 14969-14978.
ISSN 0002-7863.
https://resolver.caltech.edu/CaltechAUTHORS:20180612-155637465
Xie, Xiangjin
and
Hadt, Ryan G.
and
Pauleta, Sofia R.
et al.
(2009)
A variable temperature spectroscopic study on Paracoccus pantotrophus pseudoazurin: protein constraints on the blue Cu site.
Journal of Inorganic Biochemistry, 103
(10).
pp. 1307-1313.
ISSN 0162-0134.
https://resolver.caltech.edu/CaltechAUTHORS:20180612-155638279
Hadt, Ryan G. and Nemykin, Victor N.
(2009)
Exploring the ground and excited state potential energy landscapes of the mixed-valence biferrocenium complex.
Inorganic Chemistry, 48
(9).
pp. 3982-3992.
ISSN 0020-1669.
https://resolver.caltech.edu/CaltechAUTHORS:20180612-155639069
2008
Nemykin, Victor N.
and
Galloni, Pierluca
and
Floris, Barbara
et al.
(2008)
Metal-free and transition-metal tetraferrocenylporphyrins part 1: synthesis, characterization, electronic structure, and conformational flexibility of neutral compounds.
Dalton Transactions, 2008
(32).
pp. 4233-4246.
ISSN 1477-9226.
https://resolver.caltech.edu/CaltechAUTHORS:20180612-161521832
2007
Nemykin, Victor N.
and
Hadt, Ryan G.
and
Belosludov, Rodion V.
et al.
(2007)
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 of Physical Chemistry A, 111
(50).
pp. 12901-12913.
ISSN 1089-5639.
https://resolver.caltech.edu/CaltechAUTHORS:20180612-161522631
Nemykin, Victor N.
and
Makarova, Elena A.
and
Grosland, Jeffrey O.
et al.
(2007)
Preparation, characterization, molecular and electronic structures, TDDFT, and TDDFT/PCM study of the solvatochromism in cyanovinylferrocenes.
Inorganic Chemistry, 46
(23).
pp. 9591-9601.
ISSN 0020-1669.
https://resolver.caltech.edu/CaltechAUTHORS:20180612-161523450
Nemykin, Victor N.
and
Barrett, Christopher D.
and
Hadt, Ryan G.
et al.
(2007)
Mixed-valence states formation in conformationally flexible metal-free 5,10,15,20-tetraferrocenylporphyrin and 5,10-bisferrocenyl-15,20-bisphenylporphyrin.
Dalton Transactions, 2007
(31).
pp. 3378-3389.
ISSN 1477-9226.
https://resolver.caltech.edu/CaltechAUTHORS:20180612-161525030
2006
Nemykin, Victor N. and Hadt, Ryan G.
(2006)
Influence of Hartree-Fock exchange on the calculated Mössbauer isomer shifts and quadrupole splittings in ferrocene derivatives using density functional theory.
Inorganic Chemistry, 45
(20).
pp. 8297-8307.
ISSN 0020-1669.
https://resolver.caltech.edu/CaltechAUTHORS:20180612-161524242
This list was generated on Mon Jan 25 19:00:33 2021 PST.