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Physical Chemistry Chemical Physics : PCCP
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January 9, 2013
A RASSCF study of free base, magnesium and zinc porphyrins: accuracy versus efficiency
Andrew Kerridge
Dalton Transactions (Cambridge, England : 2003)
|
September 28, 2013
Oxidation state and covalency in f-element metallocenes (M = Ce, Th, Pu): a combined CASSCF and topological study
Andrew Kerridge
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
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
March 25, 2011
Quantum chemical studies of the hydration of Sr2+ in vacuum and aqueous solution
Andrew Kerridge, Nikolas Kaltsoyannis
Nature Reviews. Chemistry
|
August 22, 2024
Understanding covalency in molecular f-block compounds from the synergy of spectroscopy and quantum chemistry
Nikolas Kaltsoyannis, Andrew Kerridge
Physical Chemistry Chemical Physics : PCCP
|
August 24, 2023
Bounding [AnO<sub>2</sub>]<sup>2+</sup> (An = U, Np) covalency by simulated O K-edge and An M-edge X-ray absorption near-edge spectroscopy
Kurtis Stanistreet-Welsh, Andrew Kerridge
Physical Chemistry Chemical Physics : PCCP
|
March 3, 2017
Ligand size dependence of U-N and U-O bond character in a series of uranyl hexaphyrin complexes: quantum chemical simulation and density based analysis
Poppy Di Pietro, Andrew Kerridge
Inorganic Chemistry
|
December 25, 2015
U-Oyl Stretching Vibrations as a Quantitative Measure of the Equatorial Bond Covalency in Uranyl Complexes: A Quantum-Chemical Investigation
Poppy Di Pietro, Andrew Kerridge
Inorganic Chemistry
|
April 1, 2026
Oxidation State Dependence of the Actinide M<sub>4/5</sub>-Edge XANES of Actinyl (An = U, Np, Pu) Systems
Kurtis Stanistreet-Welsh, Andrew Kerridge
Physical Chemistry Chemical Physics : PCCP
|
June 10, 2016
Assessing covalency in equatorial U-N bonds: density based measures of bonding in BTP and isoamethyrin complexes of uranyl
Poppy Di Pietro, Andrew Kerridge
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of 4
Search research articles
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Showing results (1-10 of 37) with videos related to
Sort By:
Page
of 4
Physical Chemistry Chemical Physics : PCCP
|
January 9, 2013
A RASSCF study of free base, magnesium and zinc porphyrins: accuracy versus efficiency
Andrew Kerridge
Dalton Transactions (Cambridge, England : 2003)
|
September 28, 2013
Oxidation state and covalency in f-element metallocenes (M = Ce, Th, Pu): a combined CASSCF and topological study
Andrew Kerridge
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
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
March 25, 2011
Quantum chemical studies of the hydration of Sr2+ in vacuum and aqueous solution
Andrew Kerridge, Nikolas Kaltsoyannis
Nature Reviews. Chemistry
|
August 22, 2024
Understanding covalency in molecular f-block compounds from the synergy of spectroscopy and quantum chemistry
Nikolas Kaltsoyannis, Andrew Kerridge
Physical Chemistry Chemical Physics : PCCP
|
August 24, 2023
Bounding [AnO<sub>2</sub>]<sup>2+</sup> (An = U, Np) covalency by simulated O K-edge and An M-edge X-ray absorption near-edge spectroscopy
Kurtis Stanistreet-Welsh, Andrew Kerridge
Physical Chemistry Chemical Physics : PCCP
|
March 3, 2017
Ligand size dependence of U-N and U-O bond character in a series of uranyl hexaphyrin complexes: quantum chemical simulation and density based analysis
Poppy Di Pietro, Andrew Kerridge
Inorganic Chemistry
|
December 25, 2015
U-Oyl Stretching Vibrations as a Quantitative Measure of the Equatorial Bond Covalency in Uranyl Complexes: A Quantum-Chemical Investigation
Poppy Di Pietro, Andrew Kerridge
Inorganic Chemistry
|
April 1, 2026
Oxidation State Dependence of the Actinide M<sub>4/5</sub>-Edge XANES of Actinyl (An = U, Np, Pu) Systems
Kurtis Stanistreet-Welsh, Andrew Kerridge
Physical Chemistry Chemical Physics : PCCP
|
June 10, 2016
Assessing covalency in equatorial U-N bonds: density based measures of bonding in BTP and isoamethyrin complexes of uranyl
Poppy Di Pietro, Andrew Kerridge
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of 4