Alvaro Munoz-Castro (A Muñoz-Castro, Alvaro Muñoz-Castro)

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 70

Top Venues

Physical chemistry chemical physics : PCCP

Inorganic chemistry

Chemphyschem : a European journal of chemical physics and physical chemistry

Chemistry (Weinheim an der Bergstrasse, Germany)

Universidad Autonoma de Chile - Campus Providencia

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Universidad Autonoma de Chile - Campus Providencia Apr 01 2014

Chile

Full Professor

Universidad Andrés Bello Mar 01 2011 - Mar 31 2014

Chile

Assistant Professor

Publications

Peter L Rodríguez-Kessler, Alvaro Munoz-Castro
Ligand-free supermolecules: [Pd 2 @Ge 18 ] 4- and [Pd 2 @Sn 18 ] 4- as multiple-bonded Zintl-ion clusters based on Pd@Ge 9 and Pd@Sn 9 assembled units. Nanoscale (2024)
Raul Guajardo-Maturana, Peter L Rodríguez-Kessler, Alvaro Munoz-Castro
On the halide aggregation into the [Au 4 (PPh 3 ) 4 ] 4+ cluster core. Insights from structural, optical and interaction energy analysis in [(Ph 3 PAu) 4 X 2 ] 2+ and [(Ph 3 PAu) 4 X] 3+ species (X = Cl - , Br - , I - ). Physical chemistry chemical physics : PCCP 26 (27) (2024)
Songlin Xue, Nikolay V Tkachenko, Fan Wu, Xiaojuan Lv, Ningchao Liu, Alvaro Munoz-Castro, So Ueno, Kyohei Matsuo, Daiki Kuzuhara, Naoki Aratani, Zhen Shen, Hiroko Yamada, Alexander I Boldyrev, Fengxian Qiu
Conflicting Aromaticity in Trirhodium(I) Rosarin. Inorganic chemistry 63 (24) (2024)
Peter L Rodríguez-Kessler, Alvaro Munoz-Castro
[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. Physical chemistry chemical physics : PCCP 26 (10) (2024)
Peter L Rodríguez-Kessler, Alvaro Munoz-Castro
Intercluster B-H and B-B aggregation in iso- and trans -[B 20 H 18 ] 2- . Spherical aromaticity in borane dimers. Dalton transactions (Cambridge, England : 2003) (2024)
Cong-Cong Shu, Dariusz W Szczepanik, Alvaro Munoz-Castro, Miquel Solá, Zhong-Ming Sun
[K 2 (Bi@Pd 12 @Bi 20 )] 4- : An Endohedral Inorganic Fullerene with Spherical Aromaticity. Journal of the American Chemical Society (2024)
Peter L Rodríguez-Kessler, Alvaro Munoz-Castro
Intermediate Intercluster Bond Orders. Electronic Communication in Au 38 (SR) 24 Superatomic Molecules. Chemphyschem : a European journal of chemical physics and physical chemistry (2024)
Peter L Rodríguez-Kessler, Alvaro Munoz-Castro
Ligand-free supermolecules: [Pd 2 @Ge 18 ] 4- and [Pd 2 @Sn 18 ] 4- as multiple-bonded Zintl-ion clusters based on Pd@Ge 9 and Pd@Sn 9 assembled units. Nanoscale 16 (11) (2024)
Songlin Xue, Nikolay V Tkachenko, Fan Wu, Xiaojuan Lv, Ningchao Liu, Alvaro Munoz-Castro, So Ueno, Kyohei Matsuo, Daiki Kuzuhara, Naoki Aratani, Zhen Shen, Hiroko Yamada, Alexander I Boldyrev, Fengxian Qiu
Conflicting Aromaticity in Trirhodium(I) Rosarin. Inorganic chemistry (2024)
Peter L Rodríguez-Kessler, Alvaro Munoz-Castro
[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. Physical chemistry chemical physics : PCCP (2024)
Raul Guajardo-Maturana, Desmond Macleod-Carey, Peter L Rodríguez-Kessler, Alvaro Munoz-Castro
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. Physical chemistry chemical physics : PCCP (2024)
Cong-Cong Shu, Dariusz W Szczepanik, Alvaro Munoz-Castro, Miquel Solá, Zhong-Ming Sun
[K 2 (Bi@Pd 12 @Bi 20 )] 4- : An Endohedral Inorganic Fullerene with Spherical Aromaticity. Journal of the American Chemical Society 146 (20) (2024)
Alvaro Munoz-Castro
[Ba 4 @Sn 56 ] 36- as a Main-Group Second-Order Superatom. Interpenetrated Dodecahedrons as a Three-Dimensional Cluster-of-Clusters Structure. Inorganic chemistry (2024)
Raul Guajardo-Maturana, Desmond Macleod-Carey, Peter L Rodríguez-Kessler, Alvaro Munoz-Castro
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. Physical chemistry chemical physics : PCCP 26 (30) (2024)
Raul Guajardo-Maturana, Peter L Rodríguez-Kessler, Alvaro Munoz-Castro
On the halide aggregation into the [Au 4 (PPh 3 ) 4 ] 4+ cluster core. Insights from structural, optical and interaction energy analysis in [(Ph 3 PAu) 4 X 2 ] 2+ and [(Ph 3 PAu) 4 X] 3+ species (X = Cl - , Br - , I - ). Physical chemistry chemical physics : PCCP (2024)
Peter L Rodríguez-Kessler, Alvaro Munoz-Castro
Intercluster B-H and B-B aggregation in iso- and trans -[B 20 H 18 ] 2- . Spherical aromaticity in borane dimers. Dalton transactions (Cambridge, England : 2003) 53 (33) (2024)
Rafael Lingas, Nickolas D Charistos, Alvaro Munoz-Castro
Borospherene in the Nanohoop: Complexation and Aromaticity of Neutral and Dioxidized Cycloparaphenylene Supramolecules with B40 and C60 Fullerenes. Chemistry (Weinheim an der Bergstrasse, Germany) 30 (49) (2024)
Rafael Lingas, Nickolas D Charistos, Alvaro Munoz-Castro
Borospherene in the Nanohoop: Complexation and Aromaticity of Neutral and Dioxidized Cycloparaphenylene Supramolecules with B40 and C60 Fullerenes. Chemistry (Weinheim an der Bergstrasse, Germany) (2024)
Peter Ludwig Rodríguez-Kessler, Alvaro Munoz-Castro, Adán R Rodríguez-Domínguez, José Luis Cabellos
Structure effects of Pt 15 clusters for the oxygen reduction reaction: first-principles calculations. Physical chemistry chemical physics : PCCP 25 (6) (2023)
Desmond Macleod-Carey, Alvaro Munoz-Castro
Switch from local to global aromatic character in Möbius carbon nanobelts upon dioxidation. Evaluation of magnetic behavior in neutral and charged species. Physical chemistry chemical physics : PCCP (2023)
Desmond Macleod-Carey, Peter L Rodríguez-Kessler, Alvaro Munoz-Castro
Cl@Si 20 X 20 cages: evaluation of encapsulation nature, structural rigidity, and 29 Si-NMR patterns using relativistic DFT calculations. Physical chemistry chemical physics : PCCP (2023)
José Manuel Guevara-Vela, Tomás Rocha-Rinza, Peter Ludwig Rodríguez-Kessler, Alvaro Munoz-Castro
On the structure and electronic properties of Pt n clusters: new most stable structures for n = 16-17. Physical chemistry chemical physics : PCCP (2023)
Carolina Olea Ulloa, Alvaro Munoz-Castro
Infinitene as two fused helicoidal trails of fused rings: evaluation of the magnetic behavior of [12]infinitene and anionic species displaying global aromaticity and antiaromaticity. Physical chemistry chemical physics : PCCP (2023)
Carolina Olea Ulloa, Alvaro Munoz-Castro
Infinitene as two fused helicoidal trails of fused rings: evaluation of the magnetic behavior of [12]infinitene and anionic species displaying global aromaticity and antiaromaticity. Physical chemistry chemical physics : PCCP 25 (11) (2023)
Stefan Knoppe, Alvaro Munoz-Castro
Intermediate Silver Doping of Au 25 (SR) 18 : Variation of Electronic, Optical, and Chiroptical Properties along Au 25- x Ag x (SH) 18 - ( x = 0-12) Stoichiometry from DFT Calculations. Inorganic chemistry (2023)
Jianyu Wei, Desmond Macleod-Carey, Jean-François Halet, Samia Kahlal, Jean-Yves Saillard, Alvaro Munoz-Castro
From 8- to 18-Cluster Electrons Superatoms: Evaluation via DFT Calculations of the Ligand-Protected W@Au 12 (dppm) 6 Cluster Displaying Distinctive Electronic and Optical Properties. Inorganic chemistry (2023)
Brandon T Watson, Mukundam Vanga, Anurag Noonikara-Poyil, Alvaro Munoz-Castro, H V Rasika Dias
Copper(I), Silver(I), and Gold(I) Ethylene Complexes of Fluorinated and Boron-Methylated Bis- and Tris(pyridyl)borate Chelators. Inorganic chemistry (2023)
Stefan Knoppe, Alvaro Munoz-Castro
Intermediate Silver Doping of Au 25 (SR) 18 : Variation of Electronic, Optical, and Chiroptical Properties along Au 25- x Ag x (SH) 18 - ( x = 0-12) Stoichiometry from DFT Calculations. Inorganic chemistry 62 (18) (2023)
Peter Ludwig Rodríguez-Kessler, Alvaro Munoz-Castro, Adán R Rodríguez-Domínguez, José Luis Cabellos
Structure effects of Pt 15 clusters for the oxygen reduction reaction: first-principles calculations. Physical chemistry chemical physics : PCCP (2023)
Jianyu Wei, Desmond Macleod-Carey, Jean-François Halet, Samia Kahlal, Jean-Yves Saillard, Alvaro Munoz-Castro
From 8- to 18-Cluster Electrons Superatoms: Evaluation via DFT Calculations of the Ligand-Protected W@Au 12 (dppm) 6 Cluster Displaying Distinctive Electronic and Optical Properties. Inorganic chemistry 62 (7) (2023)
Brandon T Watson, Mukundam Vanga, Anurag Noonikara-Poyil, Alvaro Munoz-Castro, H V Rasika Dias
Copper(I), Silver(I), and Gold(I) Ethylene Complexes of Fluorinated and Boron-Methylated Bis- and Tris(pyridyl)borate Chelators. Inorganic chemistry 62 (4) (2023)
Peter Ludwig Rodríguez-Kessler, Alvaro Munoz-Castro, Adán R Rodríguez-Domínguez, José Luis Cabellos
Structure effects of Pt 15 clusters for the oxygen reduction reaction: first-principles calculations. Physical chemistry chemical physics : PCCP (2023)
Amr A A Attia, Alvaro Munoz-Castro, Alexandru Lupan, Robert Bruce King
Aromaticity in P 8 allotropes and (CH) 8 analogues: significance of their 40 valence electrons? Physical chemistry chemical physics : PCCP (2023)
Alvaro Munoz-Castro
Second-order superatoms: Au 52 -PAP featuring a three-dimensional cluster-of-clusters core. Dalton transactions (Cambridge, England : 2003) (2023)
Stefan Knoppe, Alvaro Munoz-Castro
Intermediate Silver Doping of Au 25 (SR) 18 : Variation of Electronic, Optical, and Chiroptical Properties along Au 25- x Ag x (SH) 18 - ( x = 0-12) Stoichiometry from DFT Calculations. Inorganic chemistry 62 (18) (2023)
Rafael Lingas, Nickolas D Charistos, Alvaro Munoz-Castro
Local and global aromaticity under rotation: analysis of two- and three-dimensional representative carbon nanostructures. Physical chemistry chemical physics : PCCP (2023)
Desmond Macleod-Carey, Alvaro Munoz-Castro
Switch from local to global aromatic character in Möbius carbon nanobelts upon dioxidation. Evaluation of magnetic behavior in neutral and charged species. Physical chemistry chemical physics : PCCP 25 (6) (2023)
Peter Ludwig Rodríguez-Kessler, Alvaro Munoz-Castro, Adán R Rodríguez-Domínguez, José Luis Cabellos
Structure effects of Pt 15 clusters for the oxygen reduction reaction: first-principles calculations. Physical chemistry chemical physics : PCCP 25 (6) (2023)
Renato Pereira Orenha, Giovanni Finoto Caramori, Renato Luis Tame Parreira, Alvaro Munoz-Castro
The use of molecular electronic structure methods to investigate mechanically interlocked molecules. Physical chemistry chemical physics : PCCP (2023)
Alvaro Munoz-Castro, H V Rasika Dias
Bonding and 13 C-NMR properties of coinage metal tris(ethylene) and tris(norbornene) complexes: Evaluation of the role of relativistic effects from DFT calculations. Journal of computational chemistry 43 (27) (2022)
Mesías Orozco-Ic, Nickolas D Charistos, Alvaro Munoz-Castro, Rafael Islas, Dage Sundholm, Gabriel Merino
Core-electron contributions to the molecular magnetic response. Physical chemistry chemical physics : PCCP 24 (20) (2022)
Alvaro Munoz-Castro
Ligand-core interaction in ligand-protected Ag 25 (XR) 18 (X = S, Se, Te) superatoms and evaluation of the anchor atom role via relativistic DFT calculations. Physical chemistry chemical physics : PCCP 24 (28) (2022)
Desmond Macleod-Carey, Alvaro Munoz-Castro
Enabling dual aromaticity in fused nanobelts: evaluation of the magnetic behavior of fused [10]CPP units. Physical chemistry chemical physics : PCCP 24 (43) (2022)
Jianyu Wei, Samia Kahlal, Jean-François Halet, Alvaro Munoz-Castro, Jean-Yves Saillard
Ligand-Induced Cuboctahedral versus Icosahedral Core Isomerism within Eight-Electron Heterocyclic-Carbene-Protected Gold Nanoclusters. Inorganic chemistry 61 (23) (2022)
Jianyu Wei, Samia Kahlal, Jean-François Halet, Jean-Yves Saillard, Alvaro Munoz-Castro
Insight Into the Stability and Electronic and Optical Properties of N-Heterocyclic Carbene Analogues of Halogen/Phosphine-Protected Au 13 Superatomic Clusters. The journal of physical chemistry. A 126 (4) (2022)
Alvaro Munoz-Castro
N-Heterocyclic carbene derivatives to modify gold superatom characteristics. Tailorable electronic and optical properties of [Au 11 (PPh 3 ) 7 LCl 2 ] + as a cluster from relativistic DFT. Physical chemistry chemical physics : PCCP 24 (10) (2022)
Alvaro Munoz-Castro
Aromaticity in Phenyl Decorated closo-Monocarboranes. Planar-Spherical Aggregates Involving 7-12-Vertex Cages. The journal of physical chemistry. A 125 (22) (2021)
Raul Guajardo-Maturana, Alexandre O Ortolan, Peter L Rodríguez-Kessler, Giovanni Finoto Caramori, Renato Luis Tame Parreira, Alvaro Munoz-Castro
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. Physical chemistry chemical physics : PCCP 24 (1) (2021)
Jianyu Wei, Peter L Rodríguez-Kessler, Jean-François Halet, Samia Kahlal, Jean-Yves Saillard, Alvaro Munoz-Castro
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. Inorganic chemistry 60 (11) (2021)
Dandan Chen, Dariusz W Szczepanik, Jun Zhu, Alvaro Munoz-Castro, Miquel Solá
Aromaticity Survival in Hydrofullerenes: The Case of C66 H4 with Its π-Aromatic Circuits. Chemistry (Weinheim an der Bergstrasse, Germany) 27 (2) (2020)
Nikolay V Tkachenko, Xiang-Wen Zhang, Lei Qiao, Cong-Cong Shu, Dmitrii V Steglenko, Alvaro Munoz-Castro, Zhong-Ming Sun, Alexander I Boldyrev
Spherical Aromaticity of All-Metal [Bi@In8 Bi12 ]3-/5- Clusters. Chemistry (Weinheim an der Bergstrasse, Germany) 26 (9) (2020)
Renato Pereira Orenha, Glaucio Régis Nagurniak, Matheus Cachoeira Colaço, Giovanni Finoto Caramori, Maurício Jeomar Piotrowski, Krys Elly de Araújo Batista, Alvaro Munoz-Castro, Breno de Almeida Silva, Benjamim José Esteves, Renato Luis Tame Parreira
The simultaneous recognition mechanism of cations and anions using macrocyclic-iodine structures: insights from dispersion-corrected DFT calculations. Physical chemistry chemical physics : PCCP 22 (41) (2020)
Jianyu Wei, Jean-François Halet, Samia Kahlal, Jean-Yves Saillard, Alvaro Munoz-Castro
Toward the Formation of N-Heterocyclic-Carbene-Protected Gold Clusters of Various Nuclearities. A Comparison with Their Phosphine-Protected Analogues from Density Functional Theory Calculations. Inorganic chemistry 59 (20) (2020)
Alvaro Munoz-Castro
Interplay Between Planar and Spherical Aromaticity: Shielding Cone Behavior in Dual Planar-Planar, Planar-Spherical and Spherical-Spherical Aromatics. Chemphyschem : a European journal of chemical physics and physical chemistry 21 (13) (2020)
Alvaro Munoz-Castro
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 units. Physical chemistry chemical physics : PCCP 22 (3) (2019)
Chandrakanta Dash, Guocang Wang, Alvaro Munoz-Castro, Tharun T Ponduru, Adway O Zacharias, Muhammed Yousufuddin, H V Rasika Dias
Organic Azide and Auxiliary-Ligand-Free Complexes of Coinage Metals Supported by N-Heterocyclic Carbenes. Inorganic chemistry 59 (4) (2019)
Johanna Camacho Gonzalez, Alvaro Munoz-Castro
Shielding cone behavior in the spherical aromatic He@C606-: origin of the record for the most shielded encapsulated 3He nucleus and comparison to He@C706. Journal of molecular modeling 25 (11) (2019)
Nickolas D Charistos, Alvaro Munoz-Castro, Michael P Sigalas
The pseudo-π model of the induced magnetic field: fast and accurate visualization of shielding and deshielding cones in planar conjugated hydrocarbons and spherical fullerenes. Physical chemistry chemical physics : PCCP 21 (11) (2019)
Nikita Fedik, Alexander I Boldyrev, Alvaro Munoz-Castro
Aromatic character of [Au13]5+ and [MAu12]4+/6+ (M = Pd, Pt) cores in ligand protected gold nanoclusters - interplay between spherical and planar σ-aromatics. Physical chemistry chemical physics : PCCP 21 (45) (2019)
Alan Miralrio, Luis E Sansores, Robert Bruce King, Alvaro Munoz-Castro
C50Cl10, a planar aromatic fullerene. Computational study of 13C-NMR chemical shift anisotropy patterns and aromatic properties. Physical chemistry chemical physics : PCCP 20 (41) (2018)
Alvaro Munoz-Castro
Doping the cage. Re@Au11Pt and Ta@Au11Hg, as novel 18-ve trimetallic superatoms displaying a doped icosahedral golden cage. Physical chemistry chemical physics : PCCP 19 (3) (2018)
Alexandre O Ortolan, Giovanni F Caramori, Renato L T Parreira, Alvaro Munoz-Castro
Helicenes as Molecular Tweezers in the Formation of Cation-π Complexes. Bonding and Circular Dichroism Properties from Relativistic DFT Calculations. Chemphyschem : a European journal of chemical physics and physical chemistry 19 (18) (2018)
Alvaro Munoz-Castro, Jean-Yves Saillard
[Au12 (SR)6 ]2- , As Smaller 8-Electron Gold Nanocluster Retaining an SP3 -Core. Evaluation of Bonding and Optical Properties from Relativistic DFT Calculations. Chemphyschem : a European journal of chemical physics and physical chemistry (2018)
Luis G Perla, Alvaro Munoz-Castro, Slavi C Sevov
Eclipsed- and Staggered-[Ge18Pd3{EiPr3}6]2- (E = Si, Sn): Positional Isomerism in Deltahedral Zintl Clusters. Journal of the American Chemical Society 139 (42) (2017)
Alvaro Munoz-Castro, Wilson Caimanque-Aguilar, Cesar Morales-Verdejo
Computational Study of 13C NMR Chemical Shift Anisotropy Patterns in C20H10 and [C20H10]4-. Insights into Their Variation upon Planarization and Formation of Concentric Aromatic Species in the Smaller Isolated-Pentagon Structural Motif. The journal of physical chemistry. A 121 (13) (2017)
Alvaro Munoz-Castro, R Bruce King
Formation of Spherical Aromatic Endohedral Metallic Fullerenes. Evaluation of Magnetic Properties of M@C28 (M = Ti, Zr, and Hf) from DFT calculations. Inorganic chemistry 56 (24) (2017)
Nickolas D Charistos, Anastasios G Papadopoulos, Thomas A Nikopoulos, Alvaro Munoz-Castro, Michael P Sigalas
Canonical orbital contributions to the magnetic fields induced by global and local diatropic and paratropic ring currents. Journal of computational chemistry 38 (30) (2017)
Alvaro Munoz-Castro, R Bruce King
On the formation of smaller p-block endohedral fullerenes: Bonding analysis in the E@C20 (E = Si, Ge, Sn, Pb) series from relativistic DFT calculations. Journal of computational chemistry 38 (19) (2017)
A G Papadopoulos, N D Charistos, Alvaro Munoz-Castro
Magnetic Response of Aromatic Rings Under Rotation: Aromatic Shielding Cone of Benzene Upon Different Orientations of the Magnetic Field. Chemphyschem : a European journal of chemical physics and physical chemistry 18 (12) (2017)
Franck Gam, Dayan Paez-Hernandez, Ramiro Arratia-Perez, C W Liu, Samia Kahlal, Jean-Yves Saillard, Alvaro Munoz-Castro
Coinage Metal Superatomic Cores: Insights into Their Intrinsic Stability and Optical Properties from Relativistic DFT Calculations. Chemistry (Weinheim an der Bergstrasse, Germany) 23 (47) (2017)

Alvaro Munoz-Castro.css-eqlu8i{font-size:small;padding-left:4px;} (A Muñoz-Castro, Alvaro Muñoz-Castro)

Publication Activity (10 Years)

Top Topics

Top Venues

Alvaro Munoz-Castro (A Muñoz-Castro, Alvaro Muñoz-Castro)