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We use ab initio and density functional quantum chemistry to study the electronic structure and reactivity of molecules and solids drawn from all areas of the periodic table, with particular emphasis on the f block. We have a number of very fruitful collaborations with experimental groups; at the Los Alamos National Laboratory in the USA, and the Universities of Oxford, Edinburgh and California.
We use ab initio and density functional quantum chemistry to study the electronic structure and reactivity of molecules and solids drawn from all areas of the periodic table, with particular emphasis on the f block. We have a number of very fruitful collaborations with experimental groups; at the Los Alamos National Laboratory in the USA, and the Universities of Oxford, Edinburgh and California.
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Jack I. Mansell, Song Yu, Muze Li,Emma Pye, Chaofan Yin,Frédéric Beltran,James A. Rossi-Ashton, Ciro Romano,Nikolas Kaltsoyannis,David J. Procter
Journal of the American Chemical Society (2024)
Journal of Nuclear Materials (2024): 154763-154763
Anthony Wong,Francis Y.T. Lam, Matthew Hernandez, Jaden Lara, T. Michael Trinh,Rory P. Kelly,Tatsumi Ochiai,Guodong Rao,R. David Britt,Nikolas Kaltsoyannis,Polly L. Arnold
Chem Catalysispp.100964, (2024)
Ryan L Dempsey,Nikolas Kaltsoyannis
Dalton transactions (Cambridge, England : 2003)no. 13 (2024): 5947-5956
JOURNAL OF MATERIALS CHEMISTRY Ano. 5 (2024): 2932-2948
Conrad A P Goodwin,Ralph W Adams,Andrew J Gaunt,Susan K Hanson,Michael T Janicke,Nikolas Kaltsoyannis, Stephen T Liddle,Iain May, Jeffrey L Miller,Brian L Scott,John A Seed,George F S Whitehead
Journal of the American Chemical Society (2024)
Chemphyschem : a European journal of chemical physics and physical chemistry (2023)
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JOURNAL OF NUCLEAR MATERIALS (2023): 154330-154330
The journal of physical chemistry. C, Nanomaterials and interfacesno. 36 (2023): 17994-18000
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