[Ag(Sn 9 -Sn 9 )] 5- and [(η 4 -Sn 9 )Ag(η 1 -Sn 9 )] 7- , as aggregates of spherical aromatic building blocks. Persistence of aromaticity upon cluster gathering
Rodríguez-Kessler, Peter L, Muñoz-Castro, Alvaro
Published in Physical chemistry chemical physics : PCCP (06.03.2024)
Published in Physical chemistry chemical physics : PCCP (06.03.2024)
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Journal Article
On the variation of cluster core characteristics by an endohedral atom. Shape variation in 8-ce [EAu 4 (PPh 3 ) 4 ] 2+ (E = N, P, As, Sb) clusters
Guajardo-Maturana, Raul, MacLeod Carey, Desmond, Rodríguez-Kessler, Peter L, Muñoz-Castro, Alvaro
Published in Physical chemistry chemical physics : PCCP (31.07.2024)
Published in Physical chemistry chemical physics : PCCP (31.07.2024)
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Journal Article
Coinage-metal pillarplexes hosts. Insights into host-guest interaction nature and luminescence quenching effects
Rojas-Poblete, Macarena, Rodríguez-Kessler, Peter L, Guajardo Maturana, Raul, Muñoz-Castro, Alvaro
Published in Physical chemistry chemical physics : PCCP (04.08.2021)
Published in Physical chemistry chemical physics : PCCP (04.08.2021)
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On Heteronuclear Isoelectronic Alternatives to [Au(13)(dppe)(5)Cl(2)](3+): Electronic and Optical Properties of the 18-Electron Os@[Au(12)(dppe)(5)Cl(2)] Cluster from Relativistic Density Functional Theory Computations
Wei, Jianyu, Rodríguez-Kessler, Peter L, Halet, Jean-François, Kahlal, Samia, Saillard, Jean-Yves, Muñoz-Castro, Alvaro
Published in Inorganic chemistry (07.06.2021)
Published in Inorganic chemistry (07.06.2021)
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Journal Article
Structural and electronic properties for Be-doped Ptn (n = 1–12) clusters obtained by DFT calculations
Rodríguez-Kessler, Peter L, Rodríguez-Domínguez, Adán R, Alonso-Dávila, Pedro, Navarro-Santos, Pedro, Muñoz-Castro, Alvaro
Published in Physical chemistry chemical physics : PCCP (30.03.2022)
Published in Physical chemistry chemical physics : PCCP (30.03.2022)
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Nature of hydride and halide encapsulation in Ag 8 cages: insights from the structure and interaction energy of [Ag 8 (X){S 2 P(O i Pr) 2 } 6 ] + (X = H - , F - , Cl - , Br - , I - ) from relativistic DFT calculations
Guajardo Maturana, Raul, Ortolan, Alexandre O, Rodríguez-Kessler, Peter L, Caramori, Giovanni F, Parreira, Renato L T, Muñoz-Castro, Alvaro
Published in Physical chemistry chemical physics : PCCP (22.12.2021)
Published in Physical chemistry chemical physics : PCCP (22.12.2021)
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Journal Article
Structural characterization, reactivity, and vibrational properties of silver clusters: a new global minimum for Ag16 (Dedicated to Professor Jean-René Hamon on the occasion of his 65th birthday.)
Rodríguez-Kessler, Peter L, Rodríguez-Domínguez, Adán R, Desmond MacLeod Carey, Muñoz-Castro, Alvaro
Published in Physical chemistry chemical physics : PCCP (14.12.2020)
Published in Physical chemistry chemical physics : PCCP (14.12.2020)
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Journal Article
On Heteronuclear Isoelectronic Alternatives to [Au13(dppe)5Cl2]3+: Electronic and Optical Properties of the 18-Electron Os@[Au12(dppe)5Cl2] Cluster from Relativistic Density Functional Theory Computations
Wei, Jianyu, Rodríguez-Kessler, Peter L, Halet, Jean-François, Kahlal, Samia, Saillard, Jean-Yves, Muñoz-Castro, Alvaro
Published in Inorganic chemistry (07.06.2021)
Published in Inorganic chemistry (07.06.2021)
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Journal Article
Nb11O15−. As a persistent spherical antiaromatic cluster
Rodríguez-Kessler, Peter L., Muñoz-Castro, Alvaro
Published in Chemical physics letters (16.12.2024)
Published in Chemical physics letters (16.12.2024)
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Journal Article
Benzene–Ni10S20 Interaction. Host–Guest Features and Nuclear Magnetic Resonance Patterns toward Prototypical Metal-Based Active Cavities
Guajardo-Maturana, Raul, Rodríguez-Kessler, Peter L., Muñoz-Castro, Alvaro
Published in Journal of physical chemistry. C (19.09.2024)
Published in Journal of physical chemistry. C (19.09.2024)
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Journal Article
Cuboctahedral Pd13 as a spherical aromatic noble metal core: insights from a ligand-protected [Pd13(Tr)6]2+ cluster
Wei, Jianyu, Rodríguez-Kessler, Peter L, Saillard, Jean-Yves, Muñoz-Castro, Alvaro
Published in Dalton transactions : an international journal of inorganic chemistry (01.01.2024)
Published in Dalton transactions : an international journal of inorganic chemistry (01.01.2024)
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New global minimum conformers for the Pt19 and Pt20 clusters: low symmetric species featuring different active sites
Guevara-Vela, José Manuel, Gallegos, Miguel, Rocha-Rinza, Tomás, Muñoz-Castro, Álvaro, Kessler, Peter L. Rodríguez, Martín Pendás, Ángel
Published in Journal of molecular modeling (2024)
Published in Journal of molecular modeling (2024)
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Antifungal activity of Co(II) and Cu(II) complexes containing 1,3-bis(benzotriazol-1-yl)-propan-2-ol on the growth and virulence traits of fluconazole-resistant Candida species: synthesis, DFT calculations, and biological activity
Murcia-Galán, Ricardo A., Durán, Sandra M., Leal-Pinto, Sandra M., Roa-Cordero, Martha V., Vargas, Jose D., Herrera, Laura V., Muñoz-Castro, Alvaro, MacLeod-Carey, Desmond, Naranjo, Tonny W., Rodríguez-Kessler, Peter L., Hurtado, John J.
Published in BMC chemistry (10.10.2023)
Published in BMC chemistry (10.10.2023)
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