Raluca Craciun
Affiliations: | Chemistry | The University of Alabama, Tuscaloosa, AL |
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Parents
Sign in to add mentor| David A. Dixon | grad student | 2010 | University of Alabama | |
| (Computational studies of transition metal catalysts.) | ||||
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Publications
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| Edwards KC, Vasiliu M, Maxwell JW, et al. (2023) NHC Carbene-Metal Complex Ligand Binding Energies. The Journal of Physical Chemistry. A |
| Vasiliu M, Edwards KC, Tapu D, et al. (2022) Bond Dissociation Energies of Carbene-Carbene and Carbene-Main Group Adducts. The Journal of Physical Chemistry. A |
| Hu JZ, Xu S, Li WZ, et al. (2015) Investigation of the Structure and Active Sites of TiO2 Nanorod Supported VOx Catalysts by High-Field and Fast-Spinning 51V MAS NMR Acs Catalysis. 5: 3945-3952 |
| Chen M, Craciun R, Hoffman N, et al. (2012) Ligand bond energies in cis- and trans-[L-Pd(PH3)2Cl]+ complexes from coupled cluster theory (CCSD(T)) and density functional theory. Inorganic Chemistry. 51: 13195-203 |
| Craciun R, Vincent AJ, Shaughnessy KH, et al. (2011) Correction to Prediction of Reliable Metal–PH3Bond Energies for Ni, Pd, and Pt in the 0 and +2 Oxidation States Inorganic Chemistry. 50: 5307-5307 |
| Craciun R, Long RT, Dixon DA, et al. (2010) Electron affinities, fluoride affinities, and heats of formation of the second row transition metal hexafluorides: MF(6) (M = Mo, Tc, Ru, Rh, Pd, Ag). The Journal of Physical Chemistry. A. 114: 7571-82 |
| Craciun R, Vincent AJ, Shaughnessy KH, et al. (2010) Prediction of reliable metal-PH3 bond energies for Ni, Pd, and Pt in the 0 and +2 oxidation states. Inorganic Chemistry. 49: 5546-53 |
| Craciun R, Picone D, Long RT, et al. (2010) Third row transition metal hexafluorides, extraordinary oxidizers, and Lewis acids: electron affinities, fluoride affinities, and heats of formation of WF6, ReF6, OsF6, IrF6, PtF6, and AuF6. Inorganic Chemistry. 49: 1056-70 |
| Liang AJ, Craciun R, Chen M, et al. (2009) Zeolite-supported organorhodium fragments: essentially molecular surface chemistry elucidated with spectroscopy and theory. Journal of the American Chemical Society. 131: 8460-73 |
| Jackson VE, Craciun R, Dixon DA, et al. (2008) Prediction of vibrational frequencies of UO2(2+) at the CCSD(T) level. The Journal of Physical Chemistry. A. 112: 4095-9 |