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Impact of methane concentration on surface morphology and boron incorporation of heavily boron-doped single crystal diamond layers
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- Journal Article
- A1
- open access
Assigning probabilities to non-Lipschitz mechanical systems
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- Journal Article
- A1
- open access
Partitioning the vibrational spectrum : fingerprinting defects in solids
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- Journal Article
- A1
- open access
Influence of diamond crystal orientation on the interaction with biological matter
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- Journal Article
- A1
- open access
UV-curable biobased polyacrylates based on a multifunctional monomer derived from furfural
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Investigation of structural, electronic and magnetic properties of breathing metal-organic framework MIL-47(Mn) : a first principles approach
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Can europium atoms form luminescent centres in diamond : a combined theoretical-experimental study
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Synthesis, characterization and thermodynamic stability of nanostructured epsilon-iron carbonitride powder prepared by a solid-state mechanochemical route
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Predicting partial atomic charges in siliceous zeolites
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A combined experimental and theoretical investigation of the Al-Melamine reactive milling system : a mechanistic study towards AlN-based ceramics
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Metal-organic frameworks : when the whole is more than the sum of its parts
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Convergence of atomic charges with the size of the enzymatic environment
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A flexible photoactive titanium metal-organic framework based on a [Ti-3(IV)(mu(3)-O)(O)(2)(COO)(6)] cluster
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- Journal Article
- A1
- open access
Mechanical properties from periodic plane wave quantum mechanical codes: the challenge of the flexible nanoporous MIL-47(V) framework
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Tailoring metal-organic frameworks for adsorption applications
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- Journal Article
- A1
- open access
Quasi-1D physics in metal-organic frameworks : MIL-47(V) from first principles
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Comment on 'Europium doping induced symmetry deviation and its impact on the second harmonic generation of doped ZnO nanowires'
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- Journal Article
- A1
- open access
Aliovalent doping of CeO2 : DFT study of oxidation state and vacancy effects
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- Journal Article
- A1
- open access
Modeling 1D structures on semiconductor surfaces: synergy of theory and experiment
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- Journal Article
- A1
- open access
Tetravalent doping of CeO2 : the impact of valence electron character on group IV dopant influence
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Functionalized metal-organic frameworks: MIL-47(V)+X: a computational investigation of its properties
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Probability of inconsistencies in theory revision : a multi-agent model for updating logically interconnected beliefs under bounded confidence
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- Conference Paper
- C3
- open access
Chemistry in solids: extending the Hirshfeld-I method
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Aqueous CSD approach for the growth of novel, lattice-tuned LaxCe1-xOδ epitaxial layers
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Atomic charges in solids : calculating Hirshfeld-I charges for overlapping atoms from the electron density distribution
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- Journal Article
- A1
- open access
Density functional theory study of La2Ce2O7 : disordered fluorite versus pyrochlore structure
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- Conference Paper
- C3
- open access
Tuning of CeO2 buffer layers for coated superconductors through metal doping
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Chemical solution deposition of thick and dense single buffer layers for YBCO coated conductors
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Novel water-based lanthanum zirconate and doped buffer layers for YBCO coated conductors
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Pt Nanowires on Ge(001) : sheep in wolf's clothing?
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Pt Nanowires on Ge(001) : sheep in wolf's clothing?
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- Journal Article
- A1
- open access
CO adsorption on Pt-induced Ge nanowires
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- Journal Article
- A1
- open access
Pt-induced nanowires on Ge(001) : a density functional theory study
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- Journal Article
- A1
- open access
Density functional theory study of Pt-induced Ge(001) reconstructions
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- Conference Paper
- C1
- open access
The formation of self-assembled nanowire arrays on Ge(001) : a DFT study of Pt induced nanowire arrays
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Ab initio study of Pt induced nanowires on Ge(001)
(2009) -
- Journal Article
- A1
- open access
Formation of Pt-induced Ge atomic nanowires on Pt/Ge(001) : a density functional theory study