| 1 |
Bond Dissociation Energies in Heavy Element Chalcogen and Halogen Small Molecules
Vasiliu M, Peterson KA, Dixon DA
Journal of Physical Chemistry A, 125(9), 1892, 2021 |
| 2 |
Benchmarking Antioxidant-Related Properties for Gallic Acid through the Use of DFT, MP2, CCSD, and CCSD(T) Approaches
de Souza GLC, Peterson KA
Journal of Physical Chemistry A, 125(1), 198, 2021 |
| 3 |
A Computational Assessment of Actinide Dioxide Cations AnO(2)(2+) for An = U to Lr: The Limited Stability Range of the Hexavalent Actinyl Moiety, [O=An=O](2+)
Vasiliu M, Jian T, Gibson JK, Peterson KA, Dixon DA
Inorganic Chemistry, 59(7), 4554, 2020 |
| 4 |
Coupled Cluster Study of the Interactions of AnO(2), AnO(2)(+), and AnO(2)(2+) (An = U, Np) with N-2 and CO
Feng RL, Glendening ED, Peterson KA
Inorganic Chemistry, 59(7), 4753, 2020 |
| 5 |
Guided Ion Beam and Quantum Chemical Investigation of the Thermochemistry of Thorium Dioxide Cations: Thermodynamic Evidence for Participation of f Orbitals in Bonding
Armentrout PB, Peterson KA
Inorganic Chemistry, 59(5), 3118, 2020 |
| 6 |
Calculated Ionization Potentials of MO3 and MO2 for M = U, Mo, W, and Nd
Vasiliu M, Peterson KA, Dixon DA
Journal of Physical Chemistry A, 124(34), 6913, 2020 |
| 7 |
Electronic Structure Predictions of the Energetic Properties of Tellurium Fluorides
Vasiliu M, Peterson KA, Christe KO, Dixon DA
Inorganic Chemistry, 58(13), 8279, 2019 |
| 8 |
Activation of Water by Pentavalent Actinide Dioxide Cations: Characteristic Curium Revealed by a Reactivity Turn after Americium
Jian T, Dau PD, Shuh DK, Vasiliu M, Dixon DA, Peterson KA, Gibson JK
Inorganic Chemistry, 58(20), 14005, 2019 |
| 9 |
Potential Energy Surface of Group 11 Trimers (Cu, Ag, Au): Bond Angle Isomerism in Au-3
Persaud RR, Chen MY, Peterson KA, Dixon DA
Journal of Physical Chemistry A, 123(6), 1198, 2019 |
| 10 |
Solid Oganesson via a Many-Body Interaction Expansion Based on Relativistic Coupled-Cluster Theory and from Plane-Wave Relativistic Density Functional Theory
Jerabek P, Smits OR, Mewes JM, Peterson KA, Schwerdtfeger P
Journal of Physical Chemistry A, 123(19), 4201, 2019 |
