- Work address
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Krijgslaan 281, S3
9000 Gent - Remco.Havenith@UGent.be
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Interpreting the behavior of the NICSzz by resolving in orbitals, sign, and positions
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Bulk heterojunction morphologies with atomistic resolution from coarse-grain solvent evaporation simulations
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- journalArticle
- A1
- open access
The role of connectivity on electronic properties of lead iodide perovskite-derived compounds
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- journalArticle
- A1
- open access
A rigorous nonorthogonal configuration interaction approach for the calculation of electronic couplings between diabatic states applied to singlet fission
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- journalArticle
- A1
- open access
Bonding in B₂ and B₂⁺ : insights from full configuration interaction and valence bond studies
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- journalArticle
- A1
- open access
The rational design of a Au(I) precursor for focused electron beam induced deposition
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- journalArticle
- A1
- open access
13C NMR spectroscopy of N-heterocyclic carbenes can selectively probe σ donation in gold(I) complexes
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- journalArticle
- A1
- open access
NMR shieldings from density functional perturbation theory : GIPAW versus all-electron calculations
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- journalArticle
- A1
- open access
Enhancing doping efficiency by improving host-dopant miscibility for fullerene-based n-type thermoelectrics
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- journalArticle
- A1
- open access
Implications of the complete basis set limit in valence bond theory: a case study of molecular hydrogen