Showing results (1-10 of 183) with videos related to
Sort By:
Pageof 19
ACS Omega|December 8, 2025
Toward an f‑Band Theory for the Actinides: DFT Studies of Small Molecule Adsorption on Np- and Am-Substituted PuO2 SurfacesJia-Li Chen, Nikolas KaltsoyannisThe Journal of Physical Chemistry. C, Nanomaterials and Interfaces|July 22, 2022
DFT + U Study of Uranium Dioxide and Plutonium Dioxide with Occupation Matrix ControlJia-Li Chen, Nikolas KaltsoyannisThe 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 KaltsoyannisDalton Transactions (Cambridge, England : 2003)|January 20, 2016
Covalency hinders AnO2(H2O)(+)→ AnO(OH)2(+) isomerisation (An = Pa-Pu)Nikolas KaltsoyannisAngewandte Chemie (International Ed. in English)|May 17, 2017
Seventeen-Coordinate Actinide Helium ComplexesNikolas KaltsoyannisChemical Society Reviews|February 25, 2003
Recent developments in computational actinide chemistryNikolas KaltsoyannisInorganic Chemistry|June 7, 2012
Does covalency increase or decrease across the actinide series? Implications for minor actinide partitioningNikolas KaltsoyannisChemistry (Weinheim an Der Bergstrasse, Germany)|October 19, 2017
Transuranic Computational ChemistryNikolas KaltsoyannisDalton Transactions (Cambridge, England : 2003)|November 16, 2010
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 = η(5)-C5H5)Ian Kirker, Nikolas KaltsoyannisInorganic Chemistry|August 15, 2006
On the paucity of molecular actinide complexes with unsupported metal-metal bonds: a comparative investigation of the electronic structure and metal-metal bonding in U2X6 (X = Cl, F, OH, NH2, CH3) complexes and d-block analoguesGerman Cavigliasso, Nikolas KaltsoyannisPageof 19