화학공학소재연구정보센터
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No. Article
1 Ligand Bond Energies in cis- and trans-[L-Pd(PH3)(2)Cl](+) Complexes from Coupled Cluster Theory (CCSD(T)) and Density Functional Theory
Chen MY, Craciun R, Hoffman N, Dixon DA
Inorganic Chemistry, 51(24), 13195, 2012
2 Prediction of Reliable Metal-PH3 Bond Energies for Ni, Pd, and Pt in the O and +2 Oxidation States (vol 49, pg 5546, 2010)
Craciun R, Vincent AJ, Shaughnessy KH, Dixon DA
Inorganic Chemistry, 50(11), 5307, 2011
3 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
Craciun R, Picone D, Long RT, Li SG, Dixon DA, Peterson KA, Christe KO
Inorganic Chemistry, 49(3), 1056, 2010
4 Prediction of Reliable Metal-PH3 Bond Energies for Ni, Pd, and Pt in the 0 and+2 Oxidation States
Craciun R, Vincent AJ, Shaughnessy KH, Dixon DA
Inorganic Chemistry, 49(12), 5546, 2010
5 Electron Affinities, Fluoride Affinities, and Heats of Formation of the Second Row Transition Metal Hexafluorides: MF6 (M = Mo, Tc, Ru, Rh, Pd, Ag)
Craciun R, Long RT, Dixon DA, Christe KO
Journal of Physical Chemistry A, 114(28), 7571, 2010
6 Zeolite-Supported Organorhodium Fragments: Essentially Molecular Surface Chemistry Elucidated with Spectroscopy and Theory
Liang AJ, Craciun R, Chen MY, Kelly TG, Kletnieks PW, Haw JF, Dixon DA, Gates BC
Journal of the American Chemical Society, 131(24), 8460, 2009
7 Prediction of vibrational frequencies of UO22+ at the CCSD(T) level
Jackson VE, Craciun R, Dixon DA, Peterson KA, de Jong WA
Journal of Physical Chemistry A, 112(17), 4095, 2008
8 Solution state structure determination of silicate oligomers by Si-29 NMR spectroscopy and molecular modeling
Cho H, Felmy AR, Craciun R, Keenum JP, Shah N, Dixon DA
Journal of the American Chemical Society, 128(7), 2324, 2006
9 Ethylbenzene dehydrogenation on Fe2O3-Cr2O3-K2CO3 catalysts promoted with transitional metal oxides
Dulamita N, Maicaneanu A, Sayle DC, Stanca M, Craciun R, Olea M, Afloroaei C, Fodor A
Applied Catalysis A: General, 287(1), 9, 2005
10 Structure and redox properties of MnOx/yttrium-stabilized zirconia (YSZ) catalyst and its used in CO and CH4 oxidation
Craciun R, Nentwick B, Hadjiivanov K, Knozinger H
Applied Catalysis A: General, 243(1), 67, 2003