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Updated: Sep 26, 2025

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Hydrogen Bonding in the Dimer and Monohydrate of 2-Adamantanol: A Test Case for Dispersion-Corrected Density

Marcos Juanes1, Rizalina Tama Saragi1, Cristóbal Pérez1

  • 1Departamento de Química Física y Química Inorgánica, Facultad de Ciencias-I.U. CINQUIMA, Universidad de Valladolid, Paseo de Belén, 7, 47011 Valladolid, Spain.

Molecules (Basel, Switzerland)
|April 23, 2022
PubMed

Keywords:
chiral recognitionhydrogen bondingjet spectroscopynon-covalent interactionsrotational spectroscopytransient chirality

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