| 1 |
Quantum Chemical Study of the Water Exchange Mechanism of the Neptunyl(VI) and -(V) Aqua Ions
Rotzinger FP
Inorganic Chemistry, 57(5), 2425, 2018 |
| 2 |
Quantum Chemical Study of the Redox Potential of the Co(OH2)(6)(2+/3+) Couple and the Singlet Quintet Gibbs Energy Difference of the Co(OH2)(6)(3+) Ion
Rotzinger FP, Li H
Inorganic Chemistry, 57(16), 10122, 2018 |
| 3 |
Quantum Chemical Study of the Water Exchange Mechanism of the Americyl(VI) Aqua Ion
Fabrizio A, Rotzinger FP
Inorganic Chemistry, 55(21), 11147, 2016 |
| 4 |
Quantum Chemical Investigation of the Transition States and Intermediates for the Reaction of the Nitrosonium Ion with the Pentaammineazidocobalt(III) Ion
Rotzinger FP
Inorganic Chemistry, 55(24), 12707, 2016 |
| 5 |
Structure and Properties of Precursor/Successor Complex and Transition State of the FeCl2+/Fe2+ Electron Self-Exchange Reaction via the Inner-Sphere Pathway
Rotzinger FP
Inorganic Chemistry, 54(21), 10450, 2015 |
| 6 |
Structure and Properties of the Precursor/Successor Complex and Transition State of the CrCl2+/Cr2+ Electron Self-Exchange Reaction via the Inner-Sphere Pathway
Rotzinger FP
Inorganic Chemistry, 53(18), 9923, 2014 |
| 7 |
The Cause for Tremendous Acceleration of Chloride Substitution via Base Catalysis in the Chloro Pentaammine Cobalt(III) Ion
Curchod BFE, Rotzinger FP
Inorganic Chemistry, 50(18), 8728, 2011 |
| 8 |
Treatment of substitution and rearrangement mechanisms of transition metal complexes with quantum chemical methods
Rotzinger FP
Chemical Reviews, 105(6), 2003, 2005 |
| 9 |
Performance of molecular orbital methods and density functional theory in the computation of geometries and energies of metal aqua ions
Rotzinger FP
Journal of Physical Chemistry B, 109(4), 1510, 2005 |
| 10 |
Structure and vibrational spectrum of formate and acetate adsorbed from aqueous solution onto the TiO2 rutile (110) surface
Rotzinger FP, Kesselman-Truttmann JM, Hug SJ, Shklover V, Gratzel M
Journal of Physical Chemistry B, 108(16), 5004, 2004 |
