204 papers found
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Computational investigation of the speciation of uranyl gluconate complexes in aqueous solution
Does covalency really increase across the 5f series? A comparison of molecular orbital, natural population, spin and electron density analyses of AnCp3(An = Th–Cm; Cp = η5-C5H5)
The Reaction Chemistry of Plutonyl(VI) Chloride Complexes with Triphenyl Phosphineoxide and Triphenyl Phosphinimine
Covalency in CeIV and UIV Halide and N-Heterocyclic Carbene Bonds
DFT studies of reductive elimination, C–H activation and β-hydride elimination in alkyl and aryl palladium amine complexes
Variable Photon Energy Photoelectron Spectroscopy and Magnetism of YbCp3and LuCp3†
All-electron CASPT2 study of Ce(η8–C8H6)2
Covalency in AnCp4 (An = Th–Cm): a comparison of molecular orbital, natural population and atoms-in-molecules analyses
Computational Study of Silica-Supported Transition Metal Fragments for Kubas-type Hydrogen Storage
Spin-Orbit Coupling: Effects in Heavy Element Chemistry
Are the Ground States of the Later Actinocenes Multiconfigurational? All-Electron Spin−Orbit Coupled CASPT2 Calculations on An(η8-C8H8)2(An = Th, U, Pu, Cm)
ChemInform Abstract: Neptunium(VI) Chain and Neptunium(VI/V) Mixed Valence Cluster Complexes.
Is Cerocene Really a Ce(III) Compound? All-Electron Spin−Orbit Coupled CASPT2 Calculations on M(η8-C8H8)2(M = Th, Pa, Ce)
Neptunium(VI) chain and neptunium(VI/V) mixed valence cluster complexes
A mystery solved? Photoelectron spectroscopic and quantum chemical studies of the ion states of CeCp3+
Multiconfigurational studies of organometallic cerium compounds
ChemInform Abstract: Tetravalent Metal Complexation by Keggin and Lacunary Phosphomolybdate Anions.
Covalency in the f Element−Chalcogen Bond. Computational Studies of M[N(EPR 2 ) 2 ] 3 (M = La, Ce, Pr, Pm, Eu, U, Np, Pu, Am, Cm; E = O, S, Se, Te; R = H, i Pr, Ph)
ChemInform Abstract: Quantum Chemical Calculations on a Selection of Iodine-Containing Species (IO, OIO, INO 3 , (IO) 2 , I 2 O 3 , I 2 O 4 and I 2 O 5 ) of Importance in the Atmosphere.
Tetravalent metal complexation by Keggin and lacunary phosphomolybdate anions
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