| 1 |
Computational Study of Actinyl Ion Complexation with Dipyriamethyrin Macrocyclic Ligands
Varathan E, Gao Y, Schreckenbach G
Journal of Physical Chemistry A, 125(4), 920, 2021 |
| 2 |
Adsorption of Actinide (U-Pu) Complexes on the Silicene and Germanene Surface: A Theoretical Study
Grover P, Ferch LS, Schreckenbach G
Journal of Physical Chemistry A, 124(8), 1522, 2020 |
| 3 |
Molecular Recognition of Hydrophilic Molecules in Water by Combining the Hydrophobic Effect with Hydrogen Bonding
Yao H, Ke H, Zhang XB, Pan SJ, Li MS, Yang LP, Schreckenbach G, Jiang W
Journal of the American Chemical Society, 140(41), 13466, 2018 |
| 4 |
Interfacial Interaction of Titania Nanoparticles and Ligated Uranyl Species: A Relativistic DFT Investigation
Zhao HB, Zheng M, Schreckenbach G, Pan QJ
Inorganic Chemistry, 56(5), 2763, 2017 |
| 5 |
Highly Valence-Diversified Binuclear Uranium Complexes of a Schiff-Base Polypyrrolic Macrocycle: Prediction of Unusual Structures, Electronic Properties, and Formation Reactions
Yao J, Zheng XJ, Pan QJ, Schreckenbach G
Inorganic Chemistry, 54(11), 5438, 2015 |
| 6 |
Fluorescence Enhancement/Quenching Based on Metal Orbital Control: Computational Studies of a 6-Thienyllumazine-Based Mercury Sensor
Afaneh AT, Schreckenbach G
Journal of Physical Chemistry A, 119(29), 8106, 2015 |
| 7 |
Oxo-Exchange of Gas-Phase Uranyl, Neptunyl, and Plutonyl with Water and Methanol
Lucena AF, Odoh SO, Zhao J, Marcalo J, Schreckenbach G, Gibson JK
Inorganic Chemistry, 53(4), 2163, 2014 |
| 8 |
Theoretical Study of the Formation of Mercury (Hg2+) Complexes in Solution Using an Explicit Solvation Shell in Implicit Solvent Calculations
Afaneh AT, Schreckenbach G, Wang FY
Journal of Physical Chemistry B, 118(38), 11271, 2014 |
| 9 |
DFT Study of Oxo-Functionalized Pentavalent Dioxouranium Complexes: Structure, Bonding, Ligand Exchange, Dimerization, and U(V)/U(IV) Reduction of OUOH and OUOSiH3 Complexes
Odoh SO, Schreckenbach G
Inorganic Chemistry, 52(1), 245, 2013 |
| 10 |
DFT Study of Uranyl Peroxo Complexes with H2O, F-, OH-, CO32-, and NO3-
Odoh SO, Schreckenbach G
Inorganic Chemistry, 52(9), 5590, 2013 |
