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Physical Chemistry Chemical Physics : PCCP
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March 7, 2023
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
Carolina Olea Ulloa, Alvaro Muñoz-Castro
Physical Chemistry Chemical Physics : PCCP
|
October 19, 2020
Th@C<sub>86</sub>, Th@C<sub>82</sub>, Th@C<sub>80</sub>, and Th@C<sub>76</sub>: role of thorium encapsulation in determining spherical aromatic and bonding properties on medium-sized endohedral metallofullerenes
Alvaro Muñoz-Castro, R Bruce King
The Journal of Physical Chemistry. A
|
May 27, 2026
CB[5]@CB[10]. Dynamics and Interaction Energy Considerations in a Molecular Gyroscope from MD+EDA Calculations
Margot Paco-Chipana, Alvaro Muñoz-Castro
Dalton Transactions (Cambridge, England : 2003)
|
June 16, 2026
A supramolecular C<sub>60</sub>S<sub>8</sub> adduct: dynamic and interaction energy considerations of an orbiting S<sub>8</sub> motif from MD + EDA calculations
Margot Paco-Chipana, Alvaro Muñoz-Castro
Physical Chemistry Chemical Physics : PCCP
|
June 30, 2015
Metal containing cryptands as hosts for anions: evaluation of Cu(I)···X and π···X interactions in halide-tricopper(I) complexes through relativistic DFT calculations
Miguel Ponce-Vargas, Alvaro Muñoz-Castro
Physical Chemistry Chemical Physics : PCCP
|
May 29, 2014
A study on the versatility of metallacycles in host-guest chemistry: interactions in halide-centered hexanuclear copper(II) pyrazolate complexes
Miguel Ponce-Vargas, Alvaro Muñoz-Castro
Inorganic Chemistry
|
January 14, 2026
Copper and Silver Cuboctahedron Cavities in Halide Encapsulation: Evaluation of Interaction Energy and Optical Properties Given by the Inclusion of Halides as Non-Innocent Templates
Margot Paco-Chipana, Alvaro Muñoz-Castro
Journal of Computational Chemistry
|
September 8, 2022
Bonding and <sup>13</sup> C-NMR properties of coinage metal tris(ethylene) and tris(norbornene) complexes: Evaluation of the role of relativistic effects from DFT calculations
Alvaro Muñoz-Castro, H V Rasika Dias
Physical Chemistry Chemical Physics : PCCP
|
January 31, 2025
A Zn<sub>2</sub>-supported B<sub>7</sub> wheel structure for the global minimum of the B<sub>7</sub>Zn<sub>2</sub> cluster
Peter L Rodríguez-Kessler, Alvaro Muñoz-Castro
Physical Chemistry Chemical Physics : PCCP
|
February 26, 2024
[Ag(Sn<sub>9</sub>-Sn<sub>9</sub>)]<sup>5-</sup> and [(η<sup>4</sup>-Sn<sub>9</sub>)Ag(η<sup>1</sup>-Sn<sub>9</sub>)]<sup>7-</sup>, as aggregates of spherical aromatic building blocks. Persistence of aromaticity upon cluster gathering
Peter L Rodríguez-Kessler, Alvaro Muñoz-Castro
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of 19
Search research articles
Search
Showing results (41-50 of 188) with videos related to
Sort By:
Page
of 19
Physical Chemistry Chemical Physics : PCCP
|
March 7, 2023
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
Carolina Olea Ulloa, Alvaro Muñoz-Castro
Physical Chemistry Chemical Physics : PCCP
|
October 19, 2020
Th@C<sub>86</sub>, Th@C<sub>82</sub>, Th@C<sub>80</sub>, and Th@C<sub>76</sub>: role of thorium encapsulation in determining spherical aromatic and bonding properties on medium-sized endohedral metallofullerenes
Alvaro Muñoz-Castro, R Bruce King
The Journal of Physical Chemistry. A
|
May 27, 2026
CB[5]@CB[10]. Dynamics and Interaction Energy Considerations in a Molecular Gyroscope from MD+EDA Calculations
Margot Paco-Chipana, Alvaro Muñoz-Castro
Dalton Transactions (Cambridge, England : 2003)
|
June 16, 2026
A supramolecular C<sub>60</sub>S<sub>8</sub> adduct: dynamic and interaction energy considerations of an orbiting S<sub>8</sub> motif from MD + EDA calculations
Margot Paco-Chipana, Alvaro Muñoz-Castro
Physical Chemistry Chemical Physics : PCCP
|
June 30, 2015
Metal containing cryptands as hosts for anions: evaluation of Cu(I)···X and π···X interactions in halide-tricopper(I) complexes through relativistic DFT calculations
Miguel Ponce-Vargas, Alvaro Muñoz-Castro
Physical Chemistry Chemical Physics : PCCP
|
May 29, 2014
A study on the versatility of metallacycles in host-guest chemistry: interactions in halide-centered hexanuclear copper(II) pyrazolate complexes
Miguel Ponce-Vargas, Alvaro Muñoz-Castro
Inorganic Chemistry
|
January 14, 2026
Copper and Silver Cuboctahedron Cavities in Halide Encapsulation: Evaluation of Interaction Energy and Optical Properties Given by the Inclusion of Halides as Non-Innocent Templates
Margot Paco-Chipana, Alvaro Muñoz-Castro
Journal of Computational Chemistry
|
September 8, 2022
Bonding and <sup>13</sup> C-NMR properties of coinage metal tris(ethylene) and tris(norbornene) complexes: Evaluation of the role of relativistic effects from DFT calculations
Alvaro Muñoz-Castro, H V Rasika Dias
Physical Chemistry Chemical Physics : PCCP
|
January 31, 2025
A Zn<sub>2</sub>-supported B<sub>7</sub> wheel structure for the global minimum of the B<sub>7</sub>Zn<sub>2</sub> cluster
Peter L Rodríguez-Kessler, Alvaro Muñoz-Castro
Physical Chemistry Chemical Physics : PCCP
|
February 26, 2024
[Ag(Sn<sub>9</sub>-Sn<sub>9</sub>)]<sup>5-</sup> and [(η<sup>4</sup>-Sn<sub>9</sub>)Ag(η<sup>1</sup>-Sn<sub>9</sub>)]<sup>7-</sup>, as aggregates of spherical aromatic building blocks. Persistence of aromaticity upon cluster gathering
Peter L Rodríguez-Kessler, Alvaro Muñoz-Castro
Page
of 19