| 1 |
Magnetic Properties and Electronic Structure of the S=2 Complex [Mn-III{(OPPh2)(2)N}(3)] Showing Field-Induced Slow Magnetization Relaxation
Sanakis Y, Krzystek J, Maganas D, Grigoropoulos A, Ferentinos E, Kostakis MG, Petroulea V, Pissas M, Thirunavukkuarasu K, Wernsdorfer W, Neese F, Kyritsis P
Inorganic Chemistry, 59(18), 13281, 2020 |
| 2 |
Accurate Band Gap Predictions of Semiconductors in the Framework of the Similarity Transformed Equation of Motion Coupled Cluster Theory
Dittmer A, Izsak R, Neese F, Maganas D
Inorganic Chemistry, 58(14), 9303, 2019 |
| 3 |
Chemistry and Quantum Mechanics in 2019: Give Us Insight and Numbers
Neese F, Atanasov M, Bistoni G, Maganas D, Ye SF
Journal of the American Chemical Society, 141(7), 2814, 2019 |
| 4 |
Investigations of the Magnetic and Spectroscopic Properties of V(III) and V(IV) Complexes
Van Stappen C, Maganas D, DeBeer S, Bill E, Neese F
Inorganic Chemistry, 57(11), 6421, 2018 |
| 5 |
Pair Natural Orbital Restricted Open-Shell Configuration Interaction (PNO-ROCIS) Approach for Calculating X-ray Absorption Spectra of Large Chemical Systems
Maganas D, DeBeer S, Neese F
Journal of Physical Chemistry A, 122(5), 1215, 2018 |
| 6 |
Magneto-Structural Correlations in Pseudotetrahedral Forms of the [Co(SPh)(4)](2-) Complex Probed by Magnetometry, MCD Spectroscopy, Advanced EPR Techniques, and ab Initio Electronic Structure Calculations
Suturina EA, Nehrkorn J, Zadrozny JM, Liu J, Atanasov M, Weyhermuller T, Maganas D, Hill S, Schnegg A, Bill E, Long JR, Neese F
Inorganic Chemistry, 56(5), 3102, 2017 |
| 7 |
A Restricted Open Configuration Interaction with Singles Method To Calculate Valence-to-Core Resonant X-ray Emission Spectra: A Case Study
Maganas D, DeBeer S, Neese F
Inorganic Chemistry, 56(19), 11819, 2017 |
| 8 |
Measuring Spin-Allowed and Spin-Forbidden d-d Excitations in Vanadium Complexes with 2p3d Resonant Inelastic X-ray Scattering
Van Kuiken BE, Hahn AW, Maganas D, DeBeer S
Inorganic Chemistry, 55(21), 11497, 2016 |
| 9 |
Ca K-Edge XAS as a Probe of Calcium Centers in Complex Systems
Martin-Diaconescu V, Gennari M, Gerey B, Tsui E, Kanady J, Tran R, Pecaut J, Maganas D, Krewald V, Goure E, Duboc C, Yano J, Agapie T, Collomb MN, DeBeer S
Inorganic Chemistry, 54(4), 1283, 2015 |
| 10 |
Magneto-Structural Correlations in a Series of Pseudotetrahedral [Co-II(XR)(4)](2-) Single Molecule Magnets: An ab Initio Ligand Field Study
Suturina EA, Maganas D, Bill E, Atanasov M, Neese F
Inorganic Chemistry, 54(20), 9948, 2015 |
