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The Journal of Physical Chemistry Letters|July 8, 2026
Toward Tunable Silver Superatoms. Evaluation of Electronic and Optical Properties of N-Heterocyclic Carbene [Ag13Cl2(L)5]3+ ClustersAlvaro Muñoz-CastroPhysical Chemistry Chemical Physics : PCCP|February 23, 2022
N-Heterocyclic carbene derivatives to modify gold superatom characteristics. Tailorable electronic and optical properties of [Au11(PPh3)7LCl2]+ as a cluster from relativistic DFTAlvaro Muñoz-CastroChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|August 24, 2016
D6h -Au42 Isomer: A Golden Aromatic Toroid Involving Superatomic π-Orbitals that Follow the Hückel (4n+2)π ruleAlvaro Muñoz-CastroPhysical Chemistry Chemical Physics : PCCP|July 7, 2022
Ligand-core interaction in ligand-protected Ag25(XR)18 (X = S, Se, Te) superatoms and evaluation of the anchor atom role via relativistic DFT calculationsAlvaro Muñoz-CastroThe Journal of Physical Chemistry. A|May 28, 2021
Aromaticity in Phenyl Decorated closo-Monocarboranes. Planar-Spherical Aggregates Involving 7-12-Vertex CagesAlvaro Muñoz-CastroPhysical Chemistry Chemical Physics : PCCP|January 29, 2026
Insights into the intermolecular interactions between stacked antiaromatic 24-π hexaphyrin macrocycles: variation of the magnetic response propertiesAlvaro Muñoz-CastroDalton Transactions (Cambridge, England : 2003)|November 22, 2023
Second-order superatoms: Au52-PAP featuring a three-dimensional cluster-of-clusters coreAlvaro Muñoz-CastroPhysical Chemistry Chemical Physics : PCCP|December 21, 2019
Triple 1D[triple bond, length as m-dash]1D superatomic bonding. Au22(dppo)6 as a Π4- and Δ2-triply bonded cluster based on Au11 assembled unitsAlvaro Muñoz-CastroPhysical Chemistry Chemical Physics : PCCP|May 5, 2017
The shielding cone in spherical aromatic structures: insights from models for spherical 2(N + 1)2 aromatic fullerenesAlvaro Muñoz-CastroThe Journal of Physical Chemistry. A|December 16, 2011
Nature of the excited state of triangulo silver N-heterocyclic carbenes. Insights from relativistic DFT calculationsAlvaro Muñoz-CastroPageof 41