Article-Journal

Reply to comments of Bader on the simplified variational derivation for quantum atoms in molecules
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Revisiting the variational nature of the quantum theory of atoms in molecules
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The nature of the hydrogen bond: A synthesis from the interacting quantum atoms picture
Theoretical studies on the ring opening of beta-lactams: Processes in solution and in enzymatic media
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Theoretical study of sequential oxidation of clusters of gallium oxide: Ga3On (n : 4-8)
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Energetics and migration of point defects in Ga2O3
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Evolution of the properties of AlnNn clusters with size
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Global optimization of ionic MgnF2n (n=1–30) clusters
The global optimization basin-hopping (BH) method has been used to locate the global minima (GM) of MgnF2n (n=1−30) clusters using a …
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Insights into the base catalysis exerted by the DD-transpeptidase from Streptomyces K15: A molecular dynamics study
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Interacting quantum atoms: a correlated energy decomposition scheme based on the quantum theory of atoms in molecules