검색결과 : 21건
| No. | Article |
|---|---|
| 1 |
Iron(III)-Oxo Cluster Chemistry with Dimethylarsinate Ligands: Structures, Magnetic Properties, and Computational Studies Lee KHK, Peralta JE, Abboud KA, Christou G Inorganic Chemistry, 59(24), 18090, 2020 |
| 2 |
Magnetic Properties of Co(II) Complexes with Polyhedral Carborane Ligands Ona OB, Alcoba DR, Massaccesi GE, Torre A, Lain L, Melo JI, Oliva-Enrich JM, Peralta JE Inorganic Chemistry, 58(4), 2550, 2019 |
| 3 |
Comment on "Additional Insights Between Fermi-Lowdin Orbital SIC and the Localization Equation Constraints in SIC-DFT" Jackson KA, Withanage KPK, Peralta JE Journal of Physical Chemistry A, 123(19), 4322, 2019 |
| 4 |
Magnetic Properties of Mononuclear Co(II) Complexes with Carborane Ligands Alcoba DR, Ona OB, Massaccesi GE, Torre A, Lain L, Melo JI, Peralta JE, Oliva-Enrich JM Inorganic Chemistry, 57(13), 7763, 2018 |
| 5 |
Shrinking Self-Interaction Errors with the Fermi-Lowdin Orbital Self-Interaction-Corrected Density Functional Approximation Sharkas K, Li L, Trepte K, Withanage KPK, Joshi RP, Zope RR, Baruah T, Johnson JK, Jackson KA, Peralta JE Journal of Physical Chemistry A, 122(48), 9307, 2018 |
| 6 |
Site-specific polarizabilities from analytic linear-response theory Peralta JE, Barone V, Jackson KA Chemical Physics Letters, 608, 24, 2014 |
| 7 |
Magnetic Exchange Couplings from Noncollinear Perturbation Theory: Dinuclear Cu-II Complexes Phillips JJ, Peralta JE Journal of Physical Chemistry A, 118(31), 5841, 2014 |
| 8 |
Structural dependence of magnetic exchange coupling parameters in transition-metal complexes Melo JI, Phillips JJ, Peralta JE Chemical Physics Letters, 557, 110, 2013 |
| 9 |
The performance of density functional approximations for the structures and relative energies of minimum energy crossing points Abate BA, Peralta JE Chemical Physics Letters, 590, 227, 2013 |
| 10 |
Basis set dependence of atomic spin populations Philips JJ, Hudspeth MA, Browne PM, Peralta JE Chemical Physics Letters, 495(1-3), 146, 2010 |