Muñoz Castro, Álvaro

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Publication

Antibacterial activities of azole complexes combined with silver nanoparticles

2018, Bello-Vieda N.J., Pastrana H.F., Garavito M.F., Ávila A.G., Celis A.M., Muñoz Castro, Álvaro, Restrepo S., Hurtado J.J.

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A new copper(I) coordination polymer from 2,6-bis(1H-benzotriazol-1-ylmethyl)pyridine: Synthesis, characterization, and use as additive in transparent submicron UV filters

2017, Nuñez-Dallos N., Lopez-Barbosa N., Muñoz Castro, Álvaro, Mac-Leod Carey D., De Nisi A., Monari M., Osma J.F., Hurtado J.

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Publication

A superatomic molecule under the spin-orbit coupling: Insights from the electronic properties in the thiolate-protected Au38(SR)24 cluster

2018, Muñoz Castro, Álvaro

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[As@Ni12@As20]3- and [Sn@Cu12@Sn20]12- clusters. Related structures with different construction philosophy

2015, MacLeod Carey D., Morales-Verdejo C., Muñoz Castro, Álvaro

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Publication

[2.2.2]Paracyclophane, preference for η6 or η18 coordination mode including Ag(I) and Sn(II): A survey into the cation-π interaction nature through relativistic DFT calculations

2015, Ulloa C.O., Ponce-Vargas M., De Mattos Piccoli R., Caramori G.F., Frenking G., Muñoz Castro, Álvaro

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Doping the cage. Re@Au11Pt and Ta@Au11Hg, as novel 18-ve trimetallic superatoms displaying a doped icosahedral golden cage

2017, Muñoz Castro, Álvaro

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Publication

Anion Recognition by Organometallic Calixarenes: Analysis from Relativistic DFT Calculations

2018, Ortolan A.O., Øestrøm I., Caramori G.F., Parreira R.L.T., Muñoz Castro, Álvaro, Bickelhaupt F.M.

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Publication

Alternation of aromatic-nonaromatic rings in belt-like structures. The behavior of [6.8]3cyclacene in magnetic fields

2015, Camacho Gonzalez J., Muñoz Castro, Álvaro

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Publication

4-: Coinage Metal Tetrahedral Superatoms as Useful Building Blocks Related to Pyramidal Au20 Clusters (M = Cu, Ag, Au). Electronic and Bonding Properties from Relativistic DFT Calculations

2018, Gam F., Arratia-Pérez R., Kahlal S., Saillard J.-Y., Muñoz Castro, Álvaro

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Publication

An unprecedented π-electronic circuit involving an odd number of carbon atoms in a grossly warped non-planar nanographene

2021-03-28, Escayola, Sílvia, Poater, Albert, Muñoz Castro, Álvaro, Solà, Miquel

The formation of π-aromatic circuits along a grossly warped nanographene, C80H30, containing five- and seven-membered rings inserted into a six-membered mesh, reveals global π-circuits at the edge of the backbone. Based on DFT calculations, one of the two most favorable circuits for π-electron delocalization formally has 50 π-electrons abiding by Hückel's rule, whereas the second one formally has 75 π-electrons and, remarkably, it does not follow any of the known rules of aromaticity.

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Muñoz Castro, Álvaro

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Antibacterial activities of azole complexes combined with silver nanoparticles

A new copper(I) coordination polymer from 2,6-bis(1H-benzotriazol-1-ylmethyl)pyridine: Synthesis, characterization, and use as additive in transparent submicron UV filters

A superatomic molecule under the spin-orbit coupling: Insights from the electronic properties in the thiolate-protected Au38(SR)24 cluster

[As@Ni12@As20]3- and [Sn@Cu12@Sn20]12- clusters. Related structures with different construction philosophy

[2.2.2]Paracyclophane, preference for η6 or η18 coordination mode including Ag(I) and Sn(II): A survey into the cation-π interaction nature through relativistic DFT calculations

Doping the cage. Re@Au11Pt and Ta@Au11Hg, as novel 18-ve trimetallic superatoms displaying a doped icosahedral golden cage

Anion Recognition by Organometallic Calixarenes: Analysis from Relativistic DFT Calculations

Alternation of aromatic-nonaromatic rings in belt-like structures. The behavior of [6.8]3cyclacene in magnetic fields

4-: Coinage Metal Tetrahedral Superatoms as Useful Building Blocks Related to Pyramidal Au20 Clusters (M = Cu, Ag, Au). Electronic and Bonding Properties from Relativistic DFT Calculations

An unprecedented π-electronic circuit involving an odd number of carbon atoms in a grossly warped non-planar nanographene

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Muñoz Castro, Álvaro

Filters

Date

Author

Organization

Subject

Has files

Type

Settings

Sort By

Results per page

Antibacterial activities of azole complexes combined with silver nanoparticles

A new copper(I) coordination polymer from 2,6-bis(1H-benzotriazol-1-ylmethyl)pyridine: Synthesis, characterization, and use as additive in transparent submicron UV filters

A superatomic molecule under the spin-orbit coupling: Insights from the electronic properties in the thiolate-protected Au38(SR)24 cluster

[As@Ni12@As20]3- and [Sn@Cu12@Sn20]12- clusters. Related structures with different construction philosophy

[2.2.2]Paracyclophane, preference for η6 or η18 coordination mode including Ag(I) and Sn(II): A survey into the cation-π interaction nature through relativistic DFT calculations

Doping the cage. Re@Au11Pt and Ta@Au11Hg, as novel 18-ve trimetallic superatoms displaying a doped icosahedral golden cage

Anion Recognition by Organometallic Calixarenes: Analysis from Relativistic DFT Calculations

Alternation of aromatic-nonaromatic rings in belt-like structures. The behavior of [6.8]3cyclacene in magnetic fields

4-: Coinage Metal Tetrahedral Superatoms as Useful Building Blocks Related to Pyramidal Au20 Clusters (M = Cu, Ag, Au). Electronic and Bonding Properties from Relativistic DFT Calculations

An unprecedented π-electronic circuit involving an odd number of carbon atoms in a grossly warped non-planar nanographene

Contáctanos