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Classical force field parameters for InP and InAs quantum dots with various surface passivations
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Memorial viewpoint for Joop van Lenthe
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Periodoannulenes : a generalized annulene-within-an-annulene paradigm for combined sigma and pi ring currents
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- Journal Article
- A1
- open access
Learning molecular representations for thermochemistry prediction of cyclic hydrocarbons and oxygenates
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- Journal Article
- A1
- open access
Optical properties of isolated and covalent organic framework-embedded ruthenium complexes
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Rate/concentration kinetic petals : a transient method to examine the interplay of surface reaction processes
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- Journal Article
- A1
- open access
ENDOR-induced EPR of disordered systems : application to X-irradiated alanine
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- Journal Article
- A1
- open access
Information-theoretic approaches to atoms-in-molecules : Hirshfeld family of partitioning schemes
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- Journal Article
- A1
- open access
Can the dielectric constant of fullerene derivatives be enhanced by side-chain manipulation? : a predictive first-principles computational study
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4th International conference on chemical bonding