Jorge H. Rodriguez, Ph.D.

Department of Physics Purdue University, West Lafayette, IN, United States 
Quantum Biochemistry,
"Jorge Rodriguez"
Mean distance: (not calculated yet)


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Peter G. Debrunner grad student 1995 UIUC
 (Mössbauer studies of spin coupled binuclear iron centers in proteins.)
James K. McCusker post-doc 1997-2000 UC Berkeley (Chemistry Tree)


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Thomas A. Manz grad student 2002-2002 Purdue (Chemistry Tree)
Teepanis Chachiyo grad student 2000-2005 Purdue
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Rodriguez JH. (2019) Mössbauer parameters of Fe 57 substituents in the topological insulator Bi 2 Se 3 Physical Review B. 100: 165113
Rodriguez JH, Ziegler CJ. (2015) 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
Palenik MC, Rodriguez JH. (2014) 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
Wang RN, Rodriguez JH, Liu WM. (2014) Negative magnetoresistance and spin filtering of spin-coupled di-iron-oxo clusters Physical Review B - Condensed Matter and Materials Physics. 89
Rodriguez JH. (2013) Phenomenological simulation and density functional theory prediction of 57 Fe Mössbauer parameters: application to magnetically coupled diiron proteins Hyperfine Interactions. 217: 73-81
Deligkaris C, Rodriguez JH. (2012) 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
Chachiyo T, Rodriguez JH. (2012) Structure, electronic configuration, and Mössbauer spectral parameters of an antiferromagnetic Fe2-peroxo intermediate of methane monooxygenase. Dalton Transactions (Cambridge, England : 2003). 41: 995-1003
Aquino F, Rodriguez JH. (2009) 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
Aquino F, Rodriguez JH. (2005) 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
Chachiyo T, Rodriguez JH. (2005) A direct method for locating minimum-energy crossing points (MECPs) in spin-forbidden transitions and nonadiabatic reactions. The Journal of Chemical Physics. 123: 94711
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