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150 related items for PubMed ID: 19572680
1. Density functional studies on the complexation and spectroscopy of uranyl ligated with acetonitrile and acetone derivatives. Schoendorff G, Windus TL, de Jong WA. J Phys Chem A; 2009 Nov 12; 113(45):12525-31. PubMed ID: 19572680 [Abstract] [Full Text] [Related]
3. Theoretical investigations of uranyl-ligand bonding: four- and five-coordinate uranyl cyanide, isocyanide, carbonyl, and hydroxide complexes. Sonnenberg JL, Hay PJ, Martin RL, Bursten BE. Inorg Chem; 2005 Apr 04; 44(7):2255-62. PubMed ID: 15792460 [Abstract] [Full Text] [Related]
4. Vibrational spectroscopy of mass-selected [UO2(ligand)n]2+ complexes in the gas phase: comparison with theory. Groenewold GS, Gianotto AK, Cossel KC, Van Stipdonk MJ, Moore DT, Polfer N, Oomens J, de Jong WA, Visscher L. J Am Chem Soc; 2006 Apr 12; 128(14):4802-13. PubMed ID: 16594717 [Abstract] [Full Text] [Related]
5. Generation of gas-phase VO2+, VOOH+, and VO2+-nitrile complex ions by electrospray ionization and collision-induced dissociation. Parsons Z, Leavitt C, Duong T, Groenewold GS, Gresham GL, Van Stipdonk MJ. J Phys Chem A; 2006 Oct 19; 110(41):11627-35. PubMed ID: 17034156 [Abstract] [Full Text] [Related]
6. Vibrational spectroscopy investigation and density functional theory calculations on N-benzoylhydrazine ligand and the corresponding uranyl complex. Bahgat K. Spectrochim Acta A Mol Biomol Spectrosc; 2004 Jun 19; 60(7):1557-62. PubMed ID: 15147698 [Abstract] [Full Text] [Related]
7. DFT-UX3LYP studies on the coordination chemistry of Ni2+. Part 1: Six coordinate [Ni(NH3)n(H2O)(6-n)]2+ complexes. Varadwaj PR, Cukrowski I, Marques HM. J Phys Chem A; 2008 Oct 23; 112(42):10657-66. PubMed ID: 18823109 [Abstract] [Full Text] [Related]
9. Complexation of the carbonate, nitrate, and acetate anions with the uranyl dication: density functional studies with relativistic effective core potentials. de Jong WA, Aprà E, Windus TL, Nichols JA, Harrison RJ, Gutowski KE, Dixon DA. J Phys Chem A; 2005 Dec 22; 109(50):11568-77. PubMed ID: 16354049 [Abstract] [Full Text] [Related]
11. Uranyl complexes with diamide ligands: a quantum mechanics study of chelating properties in the gas phase. Coupez B, Wipff G. Inorg Chem; 2003 Jun 02; 42(11):3693-703. PubMed ID: 12767210 [Abstract] [Full Text] [Related]
12. Interactions of 1-methylimidazole with UO2(CH3CO2)2 and UO2(NO3)2: structural, spectroscopic, and theoretical evidence for imidazole binding to the uranyl ion. Gutowski KE, Cocalia VA, Griffin ST, Bridges NJ, Dixon DA, Rogers RD. J Am Chem Soc; 2007 Jan 24; 129(3):526-36. PubMed ID: 17227015 [Abstract] [Full Text] [Related]
18. Relativistic density functional theory study of dioxoactinide(VI) and -(V) complexation with alaskaphyrin and related Schiff-base macrocyclic ligands. Shamov GA, Schreckenbach G. J Phys Chem A; 2006 Aug 03; 110(30):9486-99. PubMed ID: 16869700 [Abstract] [Full Text] [Related]