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Physical Chemistry Chemical Physics : PCCP
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May 4, 2022
Why an integrated approach between search algorithms and chemical intuition is necessary?
Venkatesan S Thimmakondu, Aland Sinjari, Diego Inostroza, et al.
Angewandte Chemie (International Ed. in English)
|
February 2, 2021
Planar Hexacoordinate Carbons: Half Covalent, Half Ionic
Luis Leyva-Parra, Luz Diego, Osvaldo Yañez, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 21, 2023
Revisiting the potential-energy surface of C<sub></sub>Be<sub>3</sub>H<sub>2</sub><sup>2+</sup> (<i>n</i> = 2-4) clusters: are planar pentacoordinate carbon structures the global minima?
Diego Inostroza, Alejandro Vásquez-Espinal, Luis Leyva-Parra, et al.
Journal of Chemical Theory and Computation
|
December 14, 2018
AUTOMATON: A Program That Combines a Probabilistic Cellular Automata and a Genetic Algorithm for Global Minimum Search of Clusters and Molecules
Osvaldo Yañez, Rodrigo Báez-Grez, Diego Inostroza, et al.
Chemical Science
|
November 27, 2024
TcESTIME: predicting high-temperature hydrogen-based superconductors
Trinidad Novoa, Matías E di Mauro, Diego Inostroza, et al.
Chemical Communications (Cambridge, England)
|
December 11, 2024
Doubly σ- and π-aromatic planar pentacoordinate boron polyanions
Williams García-Argote, Dumer S Sacanamboy, Alejandro Vasquez-Espinal, et al.
Molecules (Basel, Switzerland)
|
January 8, 2023
Planar Elongated B<sub>12</sub> Structure in M<sub>3</sub>B<sub>12</sub> Clusters (M = Cu-Au)
José Solar-Encinas, Alejandro Vásquez-Espinal, Luis Leyva-Parra, et al.
Journal of Chemical Information and Modeling
|
August 11, 2021
Kick-Fukui: A Fukui Function-Guided Method for Molecular Structure Prediction
Osvaldo Yañez, Rodrigo Báez-Grez, Diego Inostroza, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
October 7, 2021
Planar Hypercoordinate Carbons in Alkali Metal Decorated CE<sub>3</sub> <sup>2-</sup> and CE<sub>2</sub> <sup>2-</sup> Dianions
Luis Leyva-Parra, Luz Diego, Diego Inostroza, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
July 5, 2022
Bowl-shaped Cluster CuB<sub>12</sub> <sup>-</sup> : A Viable Global Minimum with Twofold Aromaticity
José Solar-Encinas, Luis Leyva-Parra, Osvaldo Yáñez, et al.
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Search research articles
Search
Showing results (11-20 of 26) with videos related to
Sort By:
Page
of 3
Physical Chemistry Chemical Physics : PCCP
|
May 4, 2022
Why an integrated approach between search algorithms and chemical intuition is necessary?
Venkatesan S Thimmakondu, Aland Sinjari, Diego Inostroza, et al.
Angewandte Chemie (International Ed. in English)
|
February 2, 2021
Planar Hexacoordinate Carbons: Half Covalent, Half Ionic
Luis Leyva-Parra, Luz Diego, Osvaldo Yañez, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 21, 2023
Revisiting the potential-energy surface of C<sub></sub>Be<sub>3</sub>H<sub>2</sub><sup>2+</sup> (<i>n</i> = 2-4) clusters: are planar pentacoordinate carbon structures the global minima?
Diego Inostroza, Alejandro Vásquez-Espinal, Luis Leyva-Parra, et al.
Journal of Chemical Theory and Computation
|
December 14, 2018
AUTOMATON: A Program That Combines a Probabilistic Cellular Automata and a Genetic Algorithm for Global Minimum Search of Clusters and Molecules
Osvaldo Yañez, Rodrigo Báez-Grez, Diego Inostroza, et al.
Chemical Science
|
November 27, 2024
TcESTIME: predicting high-temperature hydrogen-based superconductors
Trinidad Novoa, Matías E di Mauro, Diego Inostroza, et al.
Chemical Communications (Cambridge, England)
|
December 11, 2024
Doubly σ- and π-aromatic planar pentacoordinate boron polyanions
Williams García-Argote, Dumer S Sacanamboy, Alejandro Vasquez-Espinal, et al.
Molecules (Basel, Switzerland)
|
January 8, 2023
Planar Elongated B<sub>12</sub> Structure in M<sub>3</sub>B<sub>12</sub> Clusters (M = Cu-Au)
José Solar-Encinas, Alejandro Vásquez-Espinal, Luis Leyva-Parra, et al.
Journal of Chemical Information and Modeling
|
August 11, 2021
Kick-Fukui: A Fukui Function-Guided Method for Molecular Structure Prediction
Osvaldo Yañez, Rodrigo Báez-Grez, Diego Inostroza, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
October 7, 2021
Planar Hypercoordinate Carbons in Alkali Metal Decorated CE<sub>3</sub> <sup>2-</sup> and CE<sub>2</sub> <sup>2-</sup> Dianions
Luis Leyva-Parra, Luz Diego, Diego Inostroza, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
July 5, 2022
Bowl-shaped Cluster CuB<sub>12</sub> <sup>-</sup> : A Viable Global Minimum with Twofold Aromaticity
José Solar-Encinas, Luis Leyva-Parra, Osvaldo Yáñez, et al.
Page
of 3