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Damme drukt zijn stempel
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Absolute configuration and biological profile of pyrazoline enantiomers as MAO inhibitory activity
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The influence of the exchange-correlation functional on the non-interacting kinetic energy and its implications for orbital-free density functional approximations
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Interpreting the behavior of the NICSzz by resolving in orbitals, sign, and positions
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A simple algorithm for the Kohn-Sham inversion problem applicable to general target densities
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- journalArticle
- A1
- open access
Triplet state homoaromaticity : concept, computational validation and experimental relevance
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The influence of correlation on (de)localization indices from a valence bond perspective
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Variational information-theoretic atoms-in-molecules
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- journalArticle
- A1
- open access
Direct variational determination of the two-electron reduced density matrix for doubly occupied-configuration-interaction wave functions : the influence of three-index N-representability conditions
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Conformational Disorder and Dynamics of Proteins Sensed by Raman Optical Activity