| Year |
Citation |
Score |
| 2024 |
Cagan DA, Bím D, Kazmierczak NP, Hadt RG. Mechanisms of Photoredox Catalysis Featuring Nickel-Bipyridine Complexes. Acs Catalysis. 14: 9055-9076. PMID 38868098 DOI: 10.1021/acscatal.4c02036 |
0.798 |
|
| 2024 |
Poh YR, Morozov D, Kazmierczak NP, Hadt RG, Groenhof G, Yuen-Zhou J. Alternant Hydrocarbon Diradicals as Optically Addressable Molecular Qubits. Journal of the American Chemical Society. PMID 38798142 DOI: 10.1021/jacs.4c04360 |
0.304 |
|
| 2024 |
Sutcliffe E, Cagan DA, Hadt RG. Ultrafast Photophysics of Ni(I)-Bipyridine Halide Complexes: Spanning the Marcus Normal and Inverted Regimes. Journal of the American Chemical Society. PMID 38776490 DOI: 10.1021/jacs.4c04091 |
0.817 |
|
| 2024 |
Bím D, Luedecke KM, Cagan DA, Hadt RG. Light Activation and Photophysics of a Structurally Constrained Nickel(II)-Bipyridine Aryl Halide Complex. Inorganic Chemistry. 63: 4120-4131. PMID 38376134 DOI: 10.1021/acs.inorgchem.3c03822 |
0.816 |
|
| 2023 |
McNicholas BJ, Tong ZJ, Bím D, Turro RF, Kazmierczak NP, Chalupský J, Reisman SE, Hadt RG. Electronic Structures of Nickel(II)-Bis(indanyloxazoline)-dihalide Catalysts: Understanding Ligand Field Contributions That Promote C(sp)-C(sp) Cross-Coupling. Inorganic Chemistry. PMID 37584501 DOI: 10.1021/acs.inorgchem.3c02048 |
0.788 |
|
| 2023 |
Cagan DA, Bím D, McNicholas BJ, Kazmierczak NP, Oyala PH, Hadt RG. Photogenerated Ni(I)-Bipyridine Halide Complexes: Structure-Function Relationships for Competitive C(sp)-Cl Oxidative Addition and Dimerization Reactivity Pathways. Inorganic Chemistry. PMID 37279403 DOI: 10.1021/acs.inorgchem.3c00917 |
0.794 |
|
| 2022 |
McNicholas BJ, Nie C, Jose A, Oyala PH, Takase MK, Henling LM, Barth AT, Amaolo A, Hadt RG, Solomon EI, Winkler JR, Gray HB, Despagnet-Ayoub E. Boronated Cyanometallates. Inorganic Chemistry. PMID 36534001 DOI: 10.1021/acs.inorgchem.2c03066 |
0.795 |
|
| 2022 |
Follmer AH, Luedecke KM, Hadt RG. μ-Oxo Dimerization Effects on Ground- and Excited-State Properties of a Water-Soluble Iron Porphyrin CO Reduction Catalyst. Inorganic Chemistry. 61: 20493-20500. PMID 36479938 DOI: 10.1021/acs.inorgchem.2c03215 |
0.346 |
|
| 2022 |
Cagan DA, Bím D, Silva B, Kazmierczak NP, McNicholas BJ, Hadt RG. Elucidating the Mechanism of Excited-State Bond Homolysis in Nickel-Bipyridine Photoredox Catalysts. Journal of the American Chemical Society. 144: 6516-6531. PMID 35353530 DOI: 10.1021/jacs.2c01356 |
0.797 |
|
| 2021 |
Kazmierczak NP, Mirzoyan R, Hadt RG. The Impact of Ligand Field Symmetry on Molecular Qubit Coherence. Journal of the American Chemical Society. 143: 17305-17315. PMID 34615349 DOI: 10.1021/jacs.1c04605 |
0.78 |
|
| 2021 |
Li N, Hadt RG, Hayes D, Chen LX, Nocera DG. Detection of high-valent iron species in alloyed oxidic cobaltates for catalysing the oxygen evolution reaction. Nature Communications. 12: 4218. PMID 34244515 DOI: 10.1038/s41467-021-24453-6 |
0.447 |
|
| 2021 |
Gao Y, Hill DE, Hao W, McNicholas BJ, Vantourout JC, Hadt RG, Reisman SE, Blackmond DG, Baran PS. Electrochemical Nozaki-Hiyama-Kishi Coupling: Scope, Applications, and Mechanism. Journal of the American Chemical Society. PMID 34128671 DOI: 10.1021/jacs.1c03007 |
0.768 |
|
| 2021 |
Mirzoyan R, Kazmierczak NP, Hadt RG. Deconvolving Contributions to Decoherence in Molecular Electron Spin Qubits: A Dynamic Ligand Field Approach. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 33855760 DOI: 10.1002/chem.202100845 |
0.761 |
|
| 2021 |
Reinhard ME, Mara MW, Kroll T, Lim H, Hadt RG, Alonso-Mori R, Chollet M, Glownia JM, Nelson S, Sokaras D, Kunnus K, Driel TBV, Hartsock RW, Kjaer KS, Weninger C, et al. Short-lived metal-centered excited state initiates iron-methionine photodissociation in ferrous cytochrome c. Nature Communications. 12: 1086. PMID 33597529 DOI: 10.1038/s41467-021-21423-w |
0.749 |
|
| 2020 |
Cagan DA, Stroscio GD, Cusumano AQ, Hadt RG. Multireference Description of Nickel-Aryl Homolytic Bond Dissociation Processes in Photoredox Catalysis. The Journal of Physical Chemistry. A. 124: 9915-9922. PMID 33226235 DOI: 10.1021/acs.jpca.0c08646 |
0.825 |
|
| 2020 |
Li N, Keane TP, Veroneau SS, Hadt RG, Hayes D, Chen LX, Nocera DG. Template-stabilized oxidic nickel oxygen evolution catalysts. Proceedings of the National Academy of Sciences of the United States of America. PMID 32636264 DOI: 10.1073/Pnas.2001529117 |
0.507 |
|
| 2020 |
Ngo DX, Del Ciello SA, Barth AT, Hadt RG, Grubbs RH, Gray HB, McNicholas BJ. Electronic Structures, Spectroscopy, and Electrochemistry of [M(diimine)(CN-BR)] (M = Fe, Ru; R = Ph, CF) Complexes. Inorganic Chemistry. PMID 32584033 DOI: 10.1021/Acs.Inorgchem.0C00632 |
0.784 |
|
| 2020 |
Stroscio GD, Srnec M, Hadt RG. Multireference Ground and Excited State Electronic Structures of Free- versus Iron Porphyrin-Carbenes. Inorganic Chemistry. PMID 32510941 DOI: 10.1021/Acs.Inorgchem.0C00249 |
0.673 |
|
| 2020 |
Higdon NJ, Barth AT, Kozlowski PT, Hadt RG. Spin-phonon coupling and dynamic zero-field splitting contributions to spin conversion processes in iron(II) complexes. The Journal of Chemical Physics. 152: 204306. PMID 32486684 DOI: 10.1063/5.0006361 |
0.415 |
|
| 2020 |
Mirzoyan R, Hadt RG. The dynamic ligand field of a molecular qubit: decoherence through spin-phonon coupling. Physical Chemistry Chemical Physics : Pccp. PMID 32211668 DOI: 10.1039/D0Cp00852D |
0.789 |
|
| 2020 |
Stauber JM, Bloch ED, Vogiatzis KD, Zheng SL, Hadt RG, Hayes D, Chen LX, Gagliardi L, Nocera DG, Cummins CC. Retraction of "Pushing Single-Oxygen-Atom-Bridged Bimetallic Systems to the Right: A Cryptand-Encapsulated Co-O-Co Unit". Journal of the American Chemical Society. PMID 32208617 DOI: 10.1021/Jacs.0C01749 |
0.637 |
|
| 2019 |
Stroscio GD, Ribson RD, Hadt RG. Quantifying Entatic States in Photophysical Processes: Applications to Copper Photosensitizers. Inorganic Chemistry. PMID 31769293 DOI: 10.1021/Acs.Inorgchem.9B02976 |
0.48 |
|
| 2019 |
Jette CI, Tong ZJ, Hadt RG, Stoltz BM. Copper-Catalyzed Enantioselective Allylic Alkylation with a γ-Butyrolactone-Derived Silyl Ketene Acetal. Angewandte Chemie (International Ed. in English). PMID 31742854 DOI: 10.1002/Anie.201912618 |
0.384 |
|
| 2018 |
Snyder BER, Bols ML, Rhoda HM, Vanelderen P, Böttger LH, Braun A, Yan JJ, Hadt RG, Babicz JT, Hu MY, Zhao J, Alp EE, Hedman B, Hodgson KO, Schoonheydt RA, et al. Mechanism of selective benzene hydroxylation catalyzed by iron-containing zeolites. Proceedings of the National Academy of Sciences of the United States of America. PMID 30429333 DOI: 10.1073/Pnas.1813849115 |
0.5 |
|
| 2018 |
Chen LX, Hong J, Kelley M, Shelby M, Hayes D, Hadt R, Rimmerman D, Zhang X. The nature of the long-lived excited state in a NiII phthalocyanine complex investigated by X-ray transient absorption spectroscopy. Chemsuschem. PMID 29851241 DOI: 10.1002/Cssc.201800777 |
0.431 |
|
| 2018 |
Hayes D, Kohler L, Hadt RG, Zhang X, Liu C, Mulfort KL, Chen LX. Excited state electron and energy relays in supramolecular dinuclear complexes revealed by ultrafast optical and X-ray transient absorption spectroscopy. Chemical Science. 9: 860-875. PMID 29629153 DOI: 10.1039/C7Sc04055E |
0.482 |
|
| 2017 |
Kohler L, Hadt RG, Hayes D, Chen LX, Mulfort KL. Synthesis, structure, and excited state kinetics of heteroleptic Cu(i) complexes with a new sterically demanding phenanthroline ligand. Dalton Transactions (Cambridge, England : 2003). PMID 28944388 DOI: 10.1039/C7Dt02476B |
0.467 |
|
| 2017 |
Kjær KS, Zhang W, Alonso-Mori R, Bergmann U, Chollet M, Hadt RG, Hartsock RW, Harlang T, Kroll T, Kubiček K, Lemke HT, Liang HW, Liu Y, Nielsen MM, Robinson JS, et al. Ligand manipulation of charge transfer excited state relaxation and spin crossover in [Fe(2,2'-bipyridine)2(CN)2]. Structural Dynamics (Melville, N.Y.). 4: 044030. PMID 28653021 DOI: 10.1063/1.4985017 |
0.582 |
|
| 2017 |
Mara MW, Hadt RG, Reinhard ME, Kroll T, Lim H, Hartsock RW, Alonso-Mori R, Chollet M, Glownia JM, Nelson S, Sokaras D, Kunnus K, Hodgson KO, Hedman B, Bergmann U, et al. Metalloprotein entatic control of ligand-metal bonds quantified by ultrafast x-ray spectroscopy. Science (New York, N.Y.). 356: 1276-1280. PMID 28642436 DOI: 10.1126/Science.Aam6203 |
0.517 |
|
| 2017 |
Zhang W, Kjær KS, Alonso-Mori R, Bergmann U, Chollet M, Fredin LA, Hadt RG, Hartsock RW, Harlang T, Kroll T, Kubiček K, Lemke HT, Liang HW, Liu Y, Nielsen MM, et al. Manipulating charge transfer excited state relaxation and spin crossover in iron coordination complexes with ligand substitution. Chemical Science. 8: 515-523. PMID 28451198 DOI: 10.1039/C6Sc03070J |
0.594 |
|
| 2017 |
Brodsky CN, Hadt RG, Hayes D, Reinhart BJ, Li N, Chen LX, Nocera DG. In situ characterization of cofacial Co(IV) centers in Co4O4 cubane: Modeling the high-valent active site in oxygen-evolving catalysts. Proceedings of the National Academy of Sciences of the United States of America. PMID 28348217 DOI: 10.1073/Pnas.1701816114 |
0.583 |
|
| 2017 |
Li N, Bediako DK, Hadt RG, Hayes D, Kempa TJ, von Cube F, Bell DC, Chen LX, Nocera DG. 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. PMID 28137835 DOI: 10.1073/Pnas.1620787114 |
0.487 |
|
| 2017 |
Kelley MS, Shelby ML, Mara MW, Haldrup K, Hayes D, Hadt RG, Zhang X, Stickrath AB, Ruppert R, Sauvage J, Zhu D, Lemke HT, Chollet M, Schatz GC, Chen LX. 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: 154006. DOI: 10.1088/1361-6455/Aa7B97 |
0.436 |
|
| 2016 |
Solomon EI, Hadt RG, Snyder BER. Activating Metal Sites for Biological Electron Transfer. Israel Journal of Chemistry. 56: 649-659. PMID 28736456 DOI: 10.1002/Ijch.201600016 |
0.519 |
|
| 2016 |
Hadt RG, Hayes D, Brodsky CN, Ullman AM, Casa DM, Upton MH, Nocera DG, Chen LX. X-ray Spectroscopic Characterization of Co(IV) and Metal-Metal Interactions in Co4O4: Electronic Structure Contributions to the Formation of High-Valent States Relevant to the Oxygen Evolution Reaction. Journal of the American Chemical Society. PMID 27515121 DOI: 10.1021/Jacs.6B04663 |
0.606 |
|
| 2015 |
Stauber JM, Bloch ED, Vogiatzis KD, Zheng SL, Hadt RG, Hayes D, Chen LX, Gagliardi L, Nocera DG, Cummins CC. Pushing MOM to the Right: A Cryptand-Encapsulated Co-O-Co Unit. Journal of the American Chemical Society. PMID 26559923 DOI: 10.1021/Jacs.5B09827 |
0.719 |
|
| 2015 |
Hwang SJ, Powers DC, Maher AG, Anderson BL, Hadt RG, Zheng SL, Chen YS, Nocera DG. Trap-Free Halogen Photoelimination from Mononuclear Ni(III) Complexes. Journal of the American Chemical Society. 137: 6472-5. PMID 25950146 DOI: 10.1021/Jacs.5B03192 |
0.823 |
|
| 2015 |
Vanelderen P, Snyder BE, Tsai ML, Hadt RG, Vancauwenbergh J, Coussens O, Schoonheydt RA, Sels BF, Solomon EI. Spectroscopic definition of the copper active sites in mordenite: selective methane oxidation. Journal of the American Chemical Society. 137: 6383-92. PMID 25914019 DOI: 10.1021/Jacs.5B02817 |
0.69 |
|
| 2015 |
Hwang SJ, Anderson BL, Powers DC, Maher AG, Hadt RG, Nocera DG. Halogen Photoelimination from Monomeric Nickel(III) Complexes Enabled by the Secondary Coordination Sphere Organometallics. 34: 4766-4774. DOI: 10.1021/Acs.Organomet.5B00568 |
0.807 |
|
| 2014 |
Kroll T, Hadt RG, Wilson SA, Lundberg M, Yan JJ, Weng TC, Sokaras D, Alonso-Mori R, Casa D, Upton MH, Hedman B, Hodgson KO, Solomon EI. 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: 18087-99. PMID 25475739 DOI: 10.1021/Ja5100367 |
0.586 |
|
| 2014 |
Hadt RG, Gorelsky SI, Solomon EI. Anisotropic covalency contributions to superexchange pathways in type one copper active sites. Journal of the American Chemical Society. 136: 15034-45. PMID 25310460 DOI: 10.1021/Ja508361H |
0.501 |
|
| 2014 |
Nguyen AI, Hadt RG, Solomon EI, Tilley TD. Efficient C-H Bond Activations via O2 Cleavage by a Dianionic Cobalt(II) Complex. Chemical Science (Royal Society of Chemistry : 2010). 5: 2874-2878. PMID 25071930 DOI: 10.1039/C4Sc00108G |
0.517 |
|
| 2014 |
Zhang W, Alonso-Mori R, Bergmann U, Bressler C, Chollet M, Galler A, Gawelda W, Hadt RG, Hartsock RW, Kroll T, Kjær KS, Kubi?ek K, Lemke HT, Liang HW, Meyer DA, et al. Tracking excited-state charge and spin dynamics in iron coordination complexes. Nature. 509: 345-8. PMID 24805234 DOI: 10.1038/Nature13252 |
0.571 |
|
| 2014 |
Solomon EI, Heppner DE, Johnston EM, Ginsbach JW, Cirera J, Qayyum M, Kieber-Emmons MT, Kjaergaard CH, Hadt RG, Tian L. Copper active sites in biology. Chemical Reviews. 114: 3659-853. PMID 24588098 DOI: 10.1021/Cr400327T |
0.759 |
|
| 2014 |
Tsai ML, Hadt RG, Vanelderen P, Sels BF, Schoonheydt RA, Solomon EI. [Cu2O]2+ active site formation in Cu-ZSM-5: geometric and electronic structure requirements for N2O activation. Journal of the American Chemical Society. 136: 3522-9. PMID 24524659 DOI: 10.1021/Ja4113808 |
0.5 |
|
| 2014 |
Vanelderen P, Vancauwenbergh J, Tsai ML, Hadt RG, Solomon EI, Schoonheydt RA, Sels BF. Spectroscopy and redox chemistry of copper in mordenite. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 15: 91-9. PMID 24399800 DOI: 10.1002/Cphc.201300730 |
0.514 |
|
| 2014 |
Sieracki NA, Tian S, Hadt RG, Zhang JL, Woertink JS, Nilges MJ, Sun F, Solomon EI, Lu Y. 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: 924-9. PMID 24390543 DOI: 10.1073/Pnas.1316483111 |
0.775 |
|
| 2014 |
Hadt RG, Gorelsky SI, Solomon EI. Anisotropic covalency contributions to superexchange pathways in type one copper active sites Journal of the American Chemical Society. 136: 15034-15045. DOI: 10.1021/ja508361h |
0.346 |
|
| 2014 |
Vanelderen P, Vancauwenbergh J, Tsai M, Hadt RG, Solomon EI, Schoonheydt RA, Sels BF. Cover Picture: Spectroscopy and Redox Chemistry of Copper in Mordenite (ChemPhysChem 1/2014) Chemphyschem. 15: 1-1. DOI: 10.1002/Cphc.201490000 |
0.484 |
|
| 2013 |
Tsai ML, Hadt RG, Marshall NM, Wilson TD, Lu Y, Solomon EI. Axial interactions in the mixed-valent CuA 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: 14658-63. PMID 23964128 DOI: 10.1073/Pnas.1314242110 |
0.554 |
|
| 2012 |
Hadt RG, Sun N, Marshall NM, Hodgson KO, Hedman B, Lu Y, Solomon EI. 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: 16701-16. PMID 22985400 DOI: 10.1021/Ja306438N |
0.537 |
|
| 2012 |
Hadt RG, Xie X, Pauleta SR, Moura I, Solomon EI. 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: 155-162. PMID 22560510 DOI: 10.1016/J.Jinorgbio.2012.03.006 |
0.542 |
|
| 2012 |
Durand F, Kjaergaard CH, Suraniti E, Gounel S, Hadt RG, Solomon EI, Mano N. Bilirubin oxidase from Bacillus pumilus: A promising enzyme for the elaboration of efficient cathodes in biofuel cells Biosensors and Bioelectronics. 35: 140-146. PMID 22410485 DOI: 10.1016/J.Bios.2012.02.033 |
0.413 |
|
| 2011 |
Vanelderen P, Hadt RG, Smeets PJ, Solomon EI, Schoonheydt RA, Sels BF. Cu-ZSM-5: A biomimetic inorganic model for methane oxidation. Journal of Catalysis. 284: 157-164. PMID 23487537 DOI: 10.1016/J.Jcat.2011.10.009 |
0.467 |
|
| 2011 |
Solomon EI, Hadt RG. Recent advances in understanding blue copper proteins Coordination Chemistry Reviews. 255: 774-789. DOI: 10.1016/J.Ccr.2010.12.008 |
0.555 |
|
| 2010 |
Nemykin VN, Hadt RG. 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? The Journal of Physical Chemistry. A. 114: 12062-6. PMID 20979401 DOI: 10.1021/Jp1083828 |
0.545 |
|
| 2010 |
Smeets PJ, Hadt RG, Woertink JS, Vanelderen P, Schoonheydt RA, Sels BF, Solomon EI. Oxygen precursor to the reactive intermediate in methanol synthesis by Cu-ZSM-5. Journal of the American Chemical Society. 132: 14736-8. PMID 20923156 DOI: 10.1021/Ja106283U |
0.472 |
|
| 2010 |
Nemykin VN, Rohde GT, Barrett CD, Hadt RG, Sabin JR, Reina G, Galloni P, Floris B. Long-range electronic communication in free-base meso-poly(ferrocenyl)-containing porphyrins. Inorganic Chemistry. 49: 7497-509. PMID 20690759 DOI: 10.1021/Ic101012A |
0.572 |
|
| 2009 |
Hadt RG, Nemykin VN, Olsen JG, Basu P. Comparative calculation of EPR spectral parameters in [Mo(V)OX4]-, [Mo(V)OX5]2-, and [Mo(V)OX4(H2O)]- complexes. Physical Chemistry Chemical Physics : Pccp. 11: 10377-84. PMID 19890522 DOI: 10.1039/B905554A |
0.564 |
|
| 2009 |
Nemykin VN, Rohde GT, Barrett CD, Hadt RG, Bizzarri C, Galloni P, Floris B, Nowik I, Herber RH, Marrani AG, Zanoni R, Loim NM. 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: 14969-78. PMID 19772340 DOI: 10.1021/Ja905310H |
0.58 |
|
| 2009 |
Xie X, Hadt RG, Pauleta SR, González PJ, Un S, Moura I, Solomon EI. A variable temperature spectroscopic study on Paracoccuspantotrophus pseudoazurin: protein constraints on the blue Cu site. Journal of Inorganic Biochemistry. 103: 1307-13. PMID 19481814 DOI: 10.1016/J.Jinorgbio.2009.04.012 |
0.514 |
|
| 2009 |
Hadt RG, Nemykin VN. Exploring the ground and excited state potential energy landscapes of the mixed-valence biferrocenium complex. Inorganic Chemistry. 48: 3982-92. PMID 19344155 DOI: 10.1021/Ic801801M |
0.625 |
|
| 2008 |
Nemykin VN, Galloni P, Floris B, Barrett CD, Hadt RG, Subbotin RI, Marrani AG, Zanoni R, Loim NM. Metal-free and transition-metal tetraferrocenylporphyrins part 1: synthesis, characterization, electronic structure, and conformational flexibility of neutral compounds. Dalton Transactions (Cambridge, England : 2003). 4233-46. PMID 18682862 DOI: 10.1039/B805156A |
0.626 |
|
| 2008 |
Herber RH, Nowik I, Grosland JO, Hadt RG, Nemykin VN. Metal atom dynamics in organometallics: Cyano ferrocenes Journal of Organometallic Chemistry. 693: 1850-1856. DOI: 10.1016/J.Jorganchem.2008.02.010 |
0.573 |
|
| 2007 |
Nemykin VN, Hadt RG, Belosludov RV, Mizuseki H, Kawazoe Y. 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? The Journal of Physical Chemistry. A. 111: 12901-13. PMID 18004829 DOI: 10.1021/Jp0759731 |
0.58 |
|
| 2007 |
Nemykin VN, Makarova EA, Grosland JO, Hadt RG, Koposov AY. Preparation, characterization, molecular and electronic structures, TDDFT, and TDDFT/PCM study of the solvatochromism in cyanovinylferrocenes. Inorganic Chemistry. 46: 9591-601. PMID 17918928 DOI: 10.1021/Ic700558V |
0.603 |
|
| 2007 |
Nemykin VN, Barrett CD, Hadt RG, Subbotin RI, Maximov AY, Polshin EV, Koposov AY. Mixed-valence states formation in conformationally flexible metal-free 5,10,15,20-tetraferrocenylporphyrin and 5,10-bisferrocenyl-15,20-bisphenylporphyrin. Dalton Transactions (Cambridge, England : 2003). 3378-89. PMID 17664974 DOI: 10.1039/B703581K |
0.63 |
|
| 2006 |
Nemykin VN, Hadt RG. Influence of Hartree-Fock exchange on the calculated Mössbauer isomer shifts and quadrupole splittings in ferrocene derivatives using density functional theory. Inorganic Chemistry. 45: 8297-307. PMID 16999430 DOI: 10.1021/Ic061176Q |
0.567 |
|
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