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Patrizia Calaminici

Instituto Politécnico Nacional
CINVESTAV

126

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2180

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Structures and properties of Co13−xCux (x=0–13) nanoclusters and their interaction with pyridinic N3-doped graphene nanoflake

2021 Physica E-low-dimensional Systems & Nanostructures
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First-principle study of the structures, growth pattern, and properties of (Pt3Cu)n, n = 1–9, clusters

2021 Journal of Chemical Physics
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Chapter 1:QM/MM with Auxiliary DFT in deMon2k

2021
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Variational Density Fitting with a Krylov Subspace Method.

2020 Journal of Chemical Theory and Computation
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On the structural, energetic, and magnetic properties of M@Pd (M = Co, Ni, and Cu) core-shell nanoclusters and their comparison with pure Pd nanoclusters

2020 Journal of Magnetism and Magnetic Materials
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Molecular Simulations with in-deMon2k QM/MM, a Tutorial-Review

2019 Molecules
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NiPdPt trimetallic nanoparticles as efficient electrocatalysts towards the oxygen reduction reaction

2019 International Journal of Hydrogen Energy
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Range-Separated Hybrid Functionals with Variational Fitted Exact Exchange

2018 Journal of Chemical Theory and Computation
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A Combined DFT and Experimental Investigation of Pt-Wrapped CoNi Nanoparticles for the Oxygen Reduction Reaction

2018 Electrocatalysis
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Mixed second and third energy derivatives from auxiliary density perturbation theory

2018 Molecular Physics
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