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Physical Chemistry Chemical Physics : PCCP
|
December 14, 2011
Spin-orbit effects on a gold-based superatom: a relativistic Jellium model
Alvaro Muñoz-Castro, Ramiro Arratia-Perez
Physical Chemistry Chemical Physics : PCCP
|
September 7, 2019
Double aromaticity of the B<sub>40</sub> fullerene: induced magnetic field analysis of π and σ delocalization in the boron cavernous structure
Nickolas D Charistos, Alvaro Muñoz-Castro
Journal of Computational Chemistry
|
April 22, 2017
On the formation of smaller p-block endohedral fullerenes: Bonding analysis in the E@C<sub>20</sub> (E = Si, Ge, Sn, Pb) series from relativistic DFT calculations
Alvaro Muñoz-Castro, R Bruce King
Inorganic Chemistry
|
January 19, 2026
The Supramolecular "Just Right" Principle in the CB[<i>n</i>]S<sub>8</sub> Goldilocks Triad: Dynamic and Interaction Energy Considerations in the CB[<i>n</i>]S8 (<i>n</i> = 6, 7, 8) Formation from MD+EDA Calculations
Margot Paco-Chipana, Alvaro Muñoz-Castro
RSC Advances
|
November 3, 2025
Impact on increasing the bent angle in nickel dibenzoporphyrin(2.1.2.1) bows. Evaluation of structural and molecular features from computations
Margot Paco-Chipana, Alvaro Muñoz-Castro
Journal of Molecular Modeling
|
October 27, 2019
Shielding cone behavior in the spherical aromatic He@C<sub>60</sub><sup>6-</sup>: origin of the record for the most shielded encapsulated <sup>3</sup>He nucleus and comparison to He@C<sub>70</sub><sup>6</sup>
Johanna Camacho Gonzalez, Alvaro Muñoz-Castro
Inorganic Chemistry
|
November 23, 2017
Formation of Spherical Aromatic Endohedral Metallic Fullerenes. Evaluation of Magnetic Properties of M@C<sub>28</sub> (M = Ti, Zr, and Hf) from DFT calculations
Alvaro Muñoz-Castro, R Bruce King
Journal of Computational Chemistry
|
October 25, 2016
Evaluation of bonding, electron affinity, and optical properties of M@C<sub>28</sub> (M = Zr, Hf, Th, and U): Role of d- and f-orbitals in endohedral fullerenes from relativistic DFT calculations
Alvaro Muñoz-Castro, R Bruce King
Physical Chemistry Chemical Physics : PCCP
|
February 1, 2023
Switch from local to global aromatic character in Möbius carbon nanobelts upon dioxidation. Evaluation of magnetic behavior in neutral and charged species
Desmond Macleod-Carey, Alvaro Muñoz-Castro
Physical Chemistry Chemical Physics : PCCP
|
April 21, 2020
Induced magnetic field in sp-hybridized carbon rings: analysis of double aromaticity and antiaromaticity in cyclo[2N]carbon allotropes
Nickolas D Charistos, Alvaro Muñoz-Castro
Page
of 19
Search research articles
Search
Showing results (31-40 of 188) with videos related to
Sort By:
Page
of 19
Physical Chemistry Chemical Physics : PCCP
|
December 14, 2011
Spin-orbit effects on a gold-based superatom: a relativistic Jellium model
Alvaro Muñoz-Castro, Ramiro Arratia-Perez
Physical Chemistry Chemical Physics : PCCP
|
September 7, 2019
Double aromaticity of the B<sub>40</sub> fullerene: induced magnetic field analysis of π and σ delocalization in the boron cavernous structure
Nickolas D Charistos, Alvaro Muñoz-Castro
Journal of Computational Chemistry
|
April 22, 2017
On the formation of smaller p-block endohedral fullerenes: Bonding analysis in the E@C<sub>20</sub> (E = Si, Ge, Sn, Pb) series from relativistic DFT calculations
Alvaro Muñoz-Castro, R Bruce King
Inorganic Chemistry
|
January 19, 2026
The Supramolecular "Just Right" Principle in the CB[<i>n</i>]S<sub>8</sub> Goldilocks Triad: Dynamic and Interaction Energy Considerations in the CB[<i>n</i>]S8 (<i>n</i> = 6, 7, 8) Formation from MD+EDA Calculations
Margot Paco-Chipana, Alvaro Muñoz-Castro
RSC Advances
|
November 3, 2025
Impact on increasing the bent angle in nickel dibenzoporphyrin(2.1.2.1) bows. Evaluation of structural and molecular features from computations
Margot Paco-Chipana, Alvaro Muñoz-Castro
Journal of Molecular Modeling
|
October 27, 2019
Shielding cone behavior in the spherical aromatic He@C<sub>60</sub><sup>6-</sup>: origin of the record for the most shielded encapsulated <sup>3</sup>He nucleus and comparison to He@C<sub>70</sub><sup>6</sup>
Johanna Camacho Gonzalez, Alvaro Muñoz-Castro
Inorganic Chemistry
|
November 23, 2017
Formation of Spherical Aromatic Endohedral Metallic Fullerenes. Evaluation of Magnetic Properties of M@C<sub>28</sub> (M = Ti, Zr, and Hf) from DFT calculations
Alvaro Muñoz-Castro, R Bruce King
Journal of Computational Chemistry
|
October 25, 2016
Evaluation of bonding, electron affinity, and optical properties of M@C<sub>28</sub> (M = Zr, Hf, Th, and U): Role of d- and f-orbitals in endohedral fullerenes from relativistic DFT calculations
Alvaro Muñoz-Castro, R Bruce King
Physical Chemistry Chemical Physics : PCCP
|
February 1, 2023
Switch from local to global aromatic character in Möbius carbon nanobelts upon dioxidation. Evaluation of magnetic behavior in neutral and charged species
Desmond Macleod-Carey, Alvaro Muñoz-Castro
Physical Chemistry Chemical Physics : PCCP
|
April 21, 2020
Induced magnetic field in sp-hybridized carbon rings: analysis of double aromaticity and antiaromaticity in cyclo[2N]carbon allotropes
Nickolas D Charistos, Alvaro Muñoz-Castro
Page
of 19