| Year |
Citation |
Score |
| 2019 |
Rodriguez JH. Mössbauer parameters of Fe 57 substituents in the topological insulator Bi 2 Se 3 Physical Review B. 100: 165113. DOI: 10.1103/Physrevb.100.165113 |
0.501 |
|
| 2015 |
Rodriguez JH, Ziegler CJ. Geometric, electronic and magnetic structures of S = 19/2 and S = 20/2 thiophene-2-carboxylate functionalized Mn12 single molecule magnets. Dalton Transactions (Cambridge, England : 2003). 44: 167-75. PMID 25360814 DOI: 10.1039/C4Dt02703E |
0.501 |
|
| 2014 |
Palenik MC, Rodriguez JH. Hydrogen-bonded intermediates and transition states during spontaneous and acid-catalyzed hydrolysis of the carcinogen (+)-anti-BPDE. Physical Chemistry Chemical Physics : Pccp. 16: 12684-7. PMID 24845794 DOI: 10.1039/C4Cp01310G |
0.335 |
|
| 2014 |
Wang RN, Rodriguez JH, Liu WM. Negative magnetoresistance and spin filtering of spin-coupled di-iron-oxo clusters Physical Review B - Condensed Matter and Materials Physics. 89. DOI: 10.1103/Physrevb.89.235414 |
0.44 |
|
| 2013 |
Rodriguez JH. Phenomenological simulation and density functional theory prediction of 57 Fe Mössbauer parameters: application to magnetically coupled diiron proteins Hyperfine Interactions. 217: 73-81. DOI: 10.1007/S10751-012-0744-Y |
0.508 |
|
| 2012 |
Deligkaris C, Rodriguez JH. Correction to DFT interaction energies by an empirical dispersion term valid for a range of intermolecular distances. Physical Chemistry Chemical Physics : Pccp. 14: 3414-24. PMID 22297728 DOI: 10.1039/C2Cp23673G |
0.312 |
|
| 2012 |
Chachiyo T, Rodriguez JH. Structure, electronic configuration, and Mössbauer spectral parameters of an antiferromagnetic Fe2-peroxo intermediate of methane monooxygenase. Dalton Transactions (Cambridge, England : 2003). 41: 995-1003. PMID 22101614 DOI: 10.1039/C1Dt11656H |
0.661 |
|
| 2009 |
Aquino F, Rodriguez JH. Accurate calculation of zero-field splittings of (bio)inorganic complexes: application to an FeNO7 (S = 3/2) compound. The Journal of Physical Chemistry. A. 113: 9150-6. PMID 19624150 DOI: 10.1021/Jp8107667 |
0.534 |
|
| 2005 |
Aquino F, Rodriguez JH. First-principle computation of zero-field splittings: application to a high valent Fe(IV)-oxo model of nonheme iron proteins. The Journal of Chemical Physics. 123: 204902. PMID 16351312 DOI: 10.1063/1.2128707 |
0.48 |
|
| 2005 |
Chachiyo T, Rodriguez JH. A direct method for locating minimum-energy crossing points (MECPs) in spin-forbidden transitions and nonadiabatic reactions. The Journal of Chemical Physics. 123: 94711. PMID 16164366 DOI: 10.1063/1.2007708 |
0.658 |
|
| 2005 |
Rodriguez JH. Ground- and excited-state electronic structure of an iron-containing molecular spin photoswitch. The Journal of Chemical Physics. 123: 94709. PMID 16164364 DOI: 10.1063/1.2018631 |
0.561 |
|
| 2003 |
Loganathan D, Rodriguez JH, Morrison H. Photoaquation of methylated cis-dichlorobis(1,10-phenanthroline)rhodium(III)chloride compounds by direct population of a photoactive triplet excited state. Journal of the American Chemical Society. 125: 5640-1. PMID 12733896 DOI: 10.1021/Ja021190B |
0.397 |
|
| 2003 |
Harkless JAW, Rodriguez JH, Mitas L, Lester WA. A quantum Monte Carlo and density functional theory study of the electronic structure of peroxynitrite anion Journal of Chemical Physics. 118: 4987-4992. DOI: 10.1063/1.1544732 |
0.382 |
|
| 2002 |
Rodriguez JH, McCusker JK. Density functional theory of spin-coupled models for diiron-oxo proteins: Effects of oxo and hydroxo bridging on geometry, electronic structure, and magnetism Journal of Chemical Physics. 116: 6253-6270. DOI: 10.1063/1.1461363 |
0.648 |
|
| 2002 |
Monat JE, Rodriguez JH, McCusker JK. Ground- and excited-state electronic structures of the solar cell sensitizer bis(4,4′-dicarboxylato-2,2′-bipyridine)bis(isothiocyanato)ruthenium( II) Journal of Physical Chemistry A. 106: 7399-7406. DOI: 10.1021/Jp020927G |
0.662 |
|
| 1999 |
Rodriguez JH, Xia YM, Debrunner PG. Mossbauer spectroscopy of the spin coupled Fe2+-{FeNO}7 centers of nitrosyl derivatives of deoxy hemerythrin and density functional theory of the {FeNo}7(S = 3/2) motif Journal of the American Chemical Society. 121: 7846-7863. DOI: 10.1021/Ja990129C |
0.625 |
|
| 1998 |
Rodriguez JH, Wheeler DE, McCusker JK. Density functional studies of a Heisenberg spin coupled chromium- semiquinone complex and its chromium-catechol analog Journal of the American Chemical Society. 120: 12051-12068. DOI: 10.1021/Ja980917M |
0.665 |
|
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