about
Computational investigation of the speciation of uranyl gluconate complexes in aqueous solution.Stable GaX2, InX2 and TlX2 radicals.Are the ground states of the later actinocenes multiconfigurational? All-electron spin-orbit coupled CASPT2 calculations on An(eta(8)-C8H8)2 (An = Th, U, Pu, Cm).Recent developments in computational actinide chemistry.Computational study of An-X bonding (An = Th, U; X = p-block-based ligands) in pyrrolic macrocycle-supported complexes from the quantum theory of atoms in molecules and bond energy decomposition analysis.The Kubas interaction in M(II) (M = Ti, V, Cr) hydrazine-based hydrogen storage materials: a DFT study.Identification of a new electron-transfer relaxation pathway in photoexcited pyrrole dimers.Characterizing pressure-induced uranium C-H agostic bonds.An ab initio study of the electronic structure of BCl3(2+) and its decomposition pathways.The reaction chemistry of plutonyl(VI) chloride complexes with triphenyl phosphineoxide and triphenyl phosphinimine.Covalency in Ce(IV) and U(IV) halide and N-heterocyclic carbene bonds.Quantum chemical studies of the hydration of Sr2+ in vacuum and aqueous solution.A mystery solved? Photoelectron spectroscopic and quantum chemical studies of the ion states of CeCp3(+).Systematic investigation of thorium(IV)- and uranium(IV)-ligand bonding in dithiophosphonate, thioselenophosphinate, and diselenophosphonate complexes.Synthesis and spectroscopic and computational characterization of the chalcogenido-substituted analogues of the uranyl ion, [OUE]2+ (E = S, Se).Quantum chemical calculations on a selection of iodine-containing species (IO, OIO, INO3, (IO)2, I2O3, I2O4 and I2O5) of importance in the atmosphere.Structure, reactivity, and density functional theory analysis of the six-electron reductant, [(C5Me5)2U]2(mu-eta6:eta6-C6H6), synthesized via a new mode of (C5Me5)3M reactivity.Planar trimethylenemethane dianion chemistry of lanthanide metallocenes: synthesis, structure, density functional theory analysis, and reactivity of [(C5Me5)2Ln]2[mu-eta3:eta3-C(CH2)(3] Complexes.Trivalent [(C5Me5)2(THF)Ln]2(mu-eta2:eta2-N2) complexes as reducing agents including the reductive homologation of CO to a ketene carboxylate, (mu-eta4-O2C-C=C=O)2-.Synthesis, molecular and electronic structure of U(V)(O)[N(SiMe3)2]3.Thorium-ligand multiple bonds via reductive deprotection of a trityl group.Ionic adsorption on the brucite (0001) surface: A periodic electrostatic embedded cluster method study.Probing the reactivity and electronic structure of a uranium(V) terminal oxo complex.A generic one-pot route to acyclic two-coordinate silylenes from silicon(IV) precursors: synthesis and structural characterization of a silylsilylene.The importance of second shell effects in the simulation of hydrated Sr²⁺ hydroxide complexes.Uncovering the Origin of Divergence in the CsM(CrO4)2 (M = La, Pr, Nd, Sm, Eu; Am) Family through Examination of the Chemical Bonding in a Molecular Cluster and by Band Structure Analysis.Seventeen-Coordinate Actinide Helium Complexes.Organometallic neptunium(III) complexes.Transuranic Computational Chemistry.High Spin Ground States in Matryoshka Actinide Nanoclusters: A Computational Study.The shortest Th-Th distance from a new type of quadruple bond.Thallium(I) sandwich, multidecker, and ether complexes stabilized by weakly-coordinating anions: a spectroscopic, structural, and theoretical investigation.Variable photon energy photoelectron spectroscopy of tris-cyclopentadienyl lanthanides.Probing the limits of alkaline earth-transition metal bonding: an experimental and computational study.Thorium(IV) and Uranium(IV) trans-Calix[2]benzene[2]pyrrolide Alkyl and Alkynyl Complexes: Synthesis, Reactivity, and Electronic StructureDo QTAIM metrics correlate with the strength of heavy element-ligand bonds?Electron localization in a mixed-valence diniobium benzene complex.Density Functional Theory-Based Prediction of Some Aqueous-Phase Chemistry of Superheavy Element 111. Roentgenium(I) Is the ‘Softest' Metal IonPost Hartree-Fock calculations of pnictogen-uranium bonding in EUF (E = N-Bi)Molecular Structures of Two Metal Tetrakis(tetrahydroborates), Zr(BH4)4and U(BH4)4: Equilibrium Conformations and Barriers to Internal Rotation of the Triply Bridging BH4Groups
P50
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P50
description
hulumtues
@sq
researcher
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wetenschapper
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հետազոտող
@hy
name
Nikolas Kaltsoyannis
@ast
Nikolas Kaltsoyannis
@en
Nikolas Kaltsoyannis
@es
Nikolas Kaltsoyannis
@nl
Nikolas Kaltsoyannis
@sl
type
label
Nikolas Kaltsoyannis
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Nikolas Kaltsoyannis
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Nikolas Kaltsoyannis
@es
Nikolas Kaltsoyannis
@nl
Nikolas Kaltsoyannis
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prefLabel
Nikolas Kaltsoyannis
@ast
Nikolas Kaltsoyannis
@en
Nikolas Kaltsoyannis
@es
Nikolas Kaltsoyannis
@nl
Nikolas Kaltsoyannis
@sl
P106
P21
P31
P3835
nikolas-kaltsoyannis
P496
0000-0003-0293-5742