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Author

T. Rocha-Rinza

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2 papers indexed here

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Open access Aug 2026

Ionic, Directional, and Collective Interaction Regimes in Doped B12 Clusters: An IQA Perspective

Doping can alter boron clusters in strikingly different ways, ranging from weak ionic stabilization to strongly localized and delocalized covalent bonding. Yet, these interaction modes are often discussed on a case-by-case basis, without a systematic comparative framework. Thus, we examined structural distortions, char...

J. M. Guevara-Vela, Ángel Martín Pendás, T. Rocha-Rinza · 0 citations
Open access Oct 2026

Minimum Hydration Shells of Small Polar Organic Hydrogen-Bond Acceptors in Explicit Water Clusters

Water plays an active role in organic chemistry, yet the number of explicit water molecules required to describe the local solvation environment of small organic substrates remains poorly established. Herein, we examine the solvation of five small polar hydrogen-bond (HB) acceptors using explicit molecular clusters con...

Eduardo Romero-Montalvo, Jesús Iván Salazar-Barrientos, J. M. Guevara-Vela et al. · 0 citations

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