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List of works by Andy Kerridge

A RASSCF study of free base, magnesium and zinc porphyrins: accuracy versus efficiency ⬇️

scientific article published on 08 January 2013

A mystery solved? Photoelectron spectroscopic and quantum chemical studies of the ion states of CeCp3(+).

scientific article published on 23 June 2009

Ab initio molecular dynamics studies of hydroxide coordination of alkaline earth metals and uranyl

scientific article published on 01 June 2019

Actinide covalency measured by pulsed electron paramagnetic resonance spectroscopy.

scientific article

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).

scientific article

Assessing covalency in equatorial U-N bonds: density based measures of bonding in BTP and isoamethyrin complexes of uranyl

scientific article published on 01 June 2016

Concomitant Carboxylate and Oxalate Formation From the Activation of CO2 by a Thorium(III) Complex

scientific article published on 7 October 2016

Coordination Chemistry and QTAIM Analysis of Homoleptic Dithiocarbamate Complexes, M(S2CNiPr2)4 (M = Ti, Zr, Hf, Th, U, Np)

scientific article published on 16 August 2018

Dithio- and Diselenophosphinate Thorium(IV) and Uranium(IV) Complexes: Molecular and Electronic Structures, Spectroscopy, and Transmetalation Reactivity.

scientific article

Double Reduction of 4,4'-Bipyridine and Reductive Coupling of Pyridine by Two Thorium(III) Single-Electron Transfers

scientific article published on 23 December 2016

Elucidation of the inverse trans influence in uranyl and its imido and carbene analogues via quantum chemical simulation

scientific article published on 01 August 2018

How to Bend the Uranyl Cation via Crystal Engineering

scientific article published on 13 February 2018

Importance of quantum tunneling in vacancy-hydrogen complexes in diamond

scientific article published on 02 September 2005

Ionic adsorption on the brucite (0001) surface: A periodic electrostatic embedded cluster method study.

scientific article published in November 2016

Is cerocene really a Ce(III) compound? All-electron spin-orbit coupled CASPT2 calculations on M(eta(8)-C8H8)2 (M = Th, Pa, Ce)

scientific article published on 01 March 2009

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

scientific article

Molecular Thin Films: A New Type of Magnetic Switch

article published in 2007

Neptunyl(vi) centred visible LMCT emission directly observable in the presence of uranyl(vi)

scientific article published in 2015

Optical excitation of MgO nanoparticles; a computational perspective

scientific article published on 10 September 2014

Oxidation state and covalency in f-element metallocenes (M = Ce, Th, Pu): a combined CASSCF and topological study

scientific article published on 01 December 2013

Quantification of f-element covalency through analysis of the electron density: insights from simulation.

scientific article published in June 2017

Quantum chemical studies of the hydration of Sr2+ in vacuum and aqueous solution.

scientific article published on 23 March 2011

Solubility prediction from first principles: a density of states approach

scientific article published on 01 August 2018

The coordination of Sr2+ by hydroxide: a density functional theoretical study ⬇️

scientific article published on September 21, 2011

The importance of second shell effects in the simulation of hydrated Sr²⁺ hydroxide complexes

scientific article published in June 2015

The inverse-trans-influence in tetravalent lanthanide and actinide bis(carbene) complexes

scientific article published on 03 February 2017

Topological Study of Bonding in Aquo and Bis(triazinyl)pyridine Complexes of Trivalent Lanthanides and Actinides: Does Covalency Imply Stability?

scientific article published on 5 August 2016

U-Oyl Stretching Vibrations as a Quantitative Measure of the Equatorial Bond Covalency in Uranyl Complexes: A Quantum-Chemical Investigation.

scientific article published on 23 December 2015

Unravelling the electronic structure and dynamics of an isolated molecular rotary motor in the gas-phase.

scientific article published on 27 June 2017

White phosphorus activation by a Th(III) complex

scientific article published on 13 January 2016

Yttrium complexes of arsine, arsenide, and arsinidene ligands.

scientific article published on 5 February 2015

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