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Nikolas Kaltsoyannis

Showing results (11-20 of 126) with videos related to

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Nature Reviews. Chemistry|August 22, 2024
Understanding covalency in molecular f-block compounds from the synergy of spectroscopy and quantum chemistryNikolas Kaltsoyannis, Andrew Kerridge
Inorganic Chemistry|March 27, 2007
Energy decomposition analysis of metal-metal bonding in [M2X8]2- (X=Cl, br) complexes of 5f (U, Np, Pu), 5d (W, Re, Os), and 4d (Mo, Tc, Ru) elementsGerman Cavigliasso, Nikolas Kaltsoyannis
Dalton Transactions (Cambridge, England : 2003)|November 23, 2006
Metal-metal bonding in molecular actinide compounds: electronic structure of [M2X8](2-) (M = U, Np, Pu; X = Cl, Br, I) complexes and comparison with d-block analoguesGermán Cavigliasso, Nikolas Kaltsoyannis
The Journal of Physical Chemistry. A|September 2, 2009
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)Andrew Kerridge, Nikolas Kaltsoyannis
Dalton Transactions (Cambridge, England : 2003)|July 16, 2010
Covalency in AnCp4 (An = Th-Cm): a comparison of molecular orbital, natural population and atoms-in-molecules analysesMatthew J Tassell, Nikolas Kaltsoyannis
Physical Chemistry Chemical Physics : PCCP|April 25, 2006
An ab initio study of the electronic structure of BCl3(2+) and its decomposition pathwaysLuke H Thomas, Nikolas Kaltsoyannis
Physical Chemistry Chemical Physics : PCCP|January 19, 2017
The shortest Th-Th distance from a new type of quadruple bondHan-Shi Hu, Nikolas Kaltsoyannis
ACS Omega|December 8, 2025
Toward an f‑Band Theory for the Actinides: DFT Studies of Small Molecule Adsorption on Np- and Am-Substituted PuO<sub>2</sub> SurfacesJia-Li Chen, Nikolas Kaltsoyannis
Environmental Science. Processes & Impacts|July 16, 2025
The interaction of Pu(IV) with low index ferrihydrite surfaces: a periodic boundary condition DFT studyRyan L Dempsey, Nikolas Kaltsoyannis
Dalton Transactions (Cambridge, England : 2003)|March 8, 2024
Computational study of the interactions of tetravalent actinides (An = Th-Pu) with the α-Fe<sub>13</sub> Keggin clusterRyan L Dempsey, Nikolas Kaltsoyannis
Pageof 13

Showing results (11-20 of 126) with videos related to

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Pageof 13
Nature Reviews. Chemistry|August 22, 2024
Understanding covalency in molecular f-block compounds from the synergy of spectroscopy and quantum chemistryNikolas Kaltsoyannis, Andrew Kerridge
Inorganic Chemistry|March 27, 2007
Energy decomposition analysis of metal-metal bonding in [M2X8]2- (X=Cl, br) complexes of 5f (U, Np, Pu), 5d (W, Re, Os), and 4d (Mo, Tc, Ru) elementsGerman Cavigliasso, Nikolas Kaltsoyannis
Dalton Transactions (Cambridge, England : 2003)|November 23, 2006
Metal-metal bonding in molecular actinide compounds: electronic structure of [M2X8](2-) (M = U, Np, Pu; X = Cl, Br, I) complexes and comparison with d-block analoguesGermán Cavigliasso, Nikolas Kaltsoyannis
The Journal of Physical Chemistry. A|September 2, 2009
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)Andrew Kerridge, Nikolas Kaltsoyannis
Dalton Transactions (Cambridge, England : 2003)|July 16, 2010
Covalency in AnCp4 (An = Th-Cm): a comparison of molecular orbital, natural population and atoms-in-molecules analysesMatthew J Tassell, Nikolas Kaltsoyannis
Physical Chemistry Chemical Physics : PCCP|April 25, 2006
An ab initio study of the electronic structure of BCl3(2+) and its decomposition pathwaysLuke H Thomas, Nikolas Kaltsoyannis
Physical Chemistry Chemical Physics : PCCP|January 19, 2017
The shortest Th-Th distance from a new type of quadruple bondHan-Shi Hu, Nikolas Kaltsoyannis
ACS Omega|December 8, 2025
Toward an f‑Band Theory for the Actinides: DFT Studies of Small Molecule Adsorption on Np- and Am-Substituted PuO<sub>2</sub> SurfacesJia-Li Chen, Nikolas Kaltsoyannis
Environmental Science. Processes & Impacts|July 16, 2025
The interaction of Pu(IV) with low index ferrihydrite surfaces: a periodic boundary condition DFT studyRyan L Dempsey, Nikolas Kaltsoyannis
Dalton Transactions (Cambridge, England : 2003)|March 8, 2024
Computational study of the interactions of tetravalent actinides (An = Th-Pu) with the α-Fe<sub>13</sub> Keggin clusterRyan L Dempsey, Nikolas Kaltsoyannis
Pageof 13