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- Journal Article
- A1
- open access
Extending Hirshfeld-I to bulk and periodic materials
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- Journal Article
- A1
- open access
Reply to 'comment on ''extending Hirshfeld-I to bulk and periodic materials'''
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- Conference Paper
- C3
- open access
Calculating Hirshfeld-I charges in solids: implementation, pitfalls and applications
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- Conference Paper
- C3
- open access
A force field investigation of the influence of the metal on the breathing behaviour of MIL-53 type materials
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New functionalized metal-organic frameworks MIL-47-X (X = -Cl, -Br, -CH3, -CF3, -OH, -OCH3) : synthesis, characterization, and CO2 adsorption properties
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- Conference Paper
- C3
- open access
Calculating Hirschfeld-I charges in solids: implementation, pitfalls and applications
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- Journal Article
- A1
- open access
Tuning of CeO₂ buffer layers for coated superconductors through doping
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- PhD Thesis
- open access
Investigation of tunable buffer layers for coated superconductors : from solid state physics to quantum chemistry
(2012) -
Novel water-based lanthanum zirconate and doped buffer layers for YBCO coated conductors
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DFT study of La2Ce2O7 : a question of order