Showing results (41-50 of 217) with videos related to
Sort By:
Pageof 22
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces|September 22, 2023
DFT + U Simulation of the X-ray Absorption Near-Edge Structure of Bulk UO2 and PuO2Jia-Li Chen, Peter Blaha, Nikolas KaltsoyannisPhysical Chemistry Chemical Physics : PCCP|March 12, 2026
Electron-electrophile coupled dinitrogen reduction in a cerium-meta-tetraphenolate system: a computational studyShahbaz Ahmad, Polly L Arnold, Nikolas KaltsoyannisThe 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 KaltsoyannisEnvironmental Science & Technology|May 13, 2020
Adsorption of U(VI) on Stoichiometric and Oxidised Mackinawite: a DFT StudyNaomi E R Ofili, Adam Thetford, Nikolas KaltsoyannisDalton 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 KaltsoyannisDalton 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 KaltsoyannisJournal of Chemical Theory and Computation|May 1, 2026
Magnetic Exchange Coupling in Radical-Bridged Lanthanide ComplexesMd Ashraful Islam, Nikolas Kaltsoyannis, Nicholas F ChiltonJournal of the American Chemical Society|May 20, 2011
Small molecule activation by uranium tris(aryloxides): experimental and computational studies of binding of N2, coupling of CO, and deoxygenation insertion of CO2 under ambient conditionsStephen M Mansell, Nikolas Kaltsoyannis, Polly L ArnoldInorganic 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 KaltsoyannisPageof 22