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The Journal of Chemical Physics|December 3, 2016
Ionic adsorption on the brucite (0001) surface: A periodic electrostatic embedded cluster method studyEszter Makkos, Andrew Kerridge, Jonathan Austin, et al.
Dalton Transactions (Cambridge, England : 2003)|March 14, 2012
Is gluconate a good model for isosaccharinate in uranyl(VI) chemistry? A DFT studyKrishna Hassomal Birjkumar, Nicholas D Bryan, Nikolas Kaltsoyannis
Environmental Science & Technology|May 13, 2020
Adsorption of U(VI) on Stoichiometric and Oxidised Mackinawite: a DFT StudyNaomi E R Ofili, Adam Thetford, Nikolas Kaltsoyannis
Dalton Transactions (Cambridge, England : 2003)|September 28, 2011
Computational investigation of the speciation of uranyl gluconate complexes in aqueous solutionKrishna Hassomal Birjkumar, Nicholas D Bryan, Nikolas Kaltsoyannis
Dalton Transactions (Cambridge, England : 2003)|October 14, 2014
The strength of actinide-element bonds from the quantum theory of atoms-in-moleculesQian-Rui Huang, Jennifer R Kingham, Nikolas Kaltsoyannis
Journal of Chemical Theory and Computation|May 1, 2026
Magnetic Exchange Coupling in Radical-Bridged Lanthanide ComplexesMd Ashraful Islam, Nikolas Kaltsoyannis, Nicholas F Chilton
Inorganic Chemistry|December 19, 2006
Density functional theory-based prediction of some aqueous-phase chemistry of superheavy element 111. Roentgenium(I) is the "softest" metal ionRobert D Hancock, Libero J Bartolotti, Nikolas Kaltsoyannis
Chemical Communications (Cambridge, England)|September 20, 2018
Post Hartree-Fock calculations of pnictogen-uranium bonding in EUF3 (E = N-Bi)Benjamin E Atkinson, Han-Shi Hu, Nikolas Kaltsoyannis
Chemical Science|March 16, 2026
Computational study of the effect of Lewis base additives and molecular spin state in SmI2-chemistrySong Yu, Ciro Romano, David J Procter, et al.
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