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Physical Chemistry Chemical Physics : PCCP
|
January 5, 2018
Noble gas encapsulated B<sub>40</sub> cage
Sudip Pan, Manas Ghara, Susmita Kar, et al.
Chemical Science
|
March 24, 2018
Influence of axle length on the rate and mechanism of shuttling in rigid H-shaped [2]rotaxanes
Ghazale Gholami, Kelong Zhu, Giorgio Baggi, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
August 28, 2022
Influence of LiTaO<sub>3</sub> (0001) and KTaO<sub>3</sub> (001) Perovskites Structures on the Molecular Adsorption of Styrene and Styrene oxide: A Theoretical Insight by Periodic DFT Calculations
Felipe Toledo, Eduardo Schott, Mario Saavedra-Torres, et al.
The Journal of Physical Chemistry. A
|
December 17, 2025
Role of Cd<sup>2+</sup> and Ag<sup>+</sup> as Codoping Species in the Mechanism of the Luminescence Activation/Deactivation of a Ln<sup>3+</sup>@UiO-66-(COOH)<sub>2</sub> Chemical Sensor: A Quantum Chemistry Approach
Yoslainy Echevarria-Valdés, Yoan Hidalgo-Rosa, Eduardo Schott, et al.
ACS Omega
|
June 7, 2021
Zn(II)-tetracarboxy-phthalocyanine-Sensitized TiO<sub>2</sub> Thin Films as Antimicrobial Agents under Visible Irradiation: a Combined DFT and Experimental Study
William Vallejo, Karen Navarro, Carlos Díaz-Uribe, et al.
ACS Omega
|
August 7, 2023
Adsorption and Photocatalytic Degradation of Methylene Blue on TiO<sub>2</sub> Thin Films Impregnated with Anderson-Evans Al-Polyoxometalates: Experimental and DFT Study
Freider Duran, Carlos Diaz-Uribe, William Vallejo, et al.
Journal of Computational Chemistry
|
June 20, 2020
Sensing mechanism elucidation of a europium(III) metal-organic framework selective to aniline: A theoretical insight by means of multiconfigurational calculations
Yoan Hidalgo-Rosa, Manuel A Treto-Suárez, Eduardo Schott, et al.
Journal of Computational Chemistry
|
April 28, 2022
The quest for a bidirectional auxetic, elastic, and enhanced fracture toughness material: Revisiting the mechanical properties of the BeH<sub>2</sub> monolayers
Armando A Morin-Martinez, Jessica Arcudia, Ximena Zarate, et al.
The Journal of Physical Chemistry. A
|
July 19, 2019
Understanding the Selective-Sensing Mechanism of Al<sup>3+</sup> Cation by a Chemical Sensor Based on Schiff Base: A Theoretical Approach
Manuel A Treto-Suárez, Yoan Hidalgo-Rosa, Eduardo Schott, et al.
Journal of Molecular Modeling
|
October 6, 2022
Tuning the visible-NIR absorption of azulenocyanine-based photosensitizers
Kevin Granados-Tavera, Michael Zambrano-Angulo, Yoan Hidalgo-Rosa, et al.
Page
of 6
Search research articles
Search
Showing results (11-20 of 58) with videos related to
Sort By:
Page
of 6
Physical Chemistry Chemical Physics : PCCP
|
January 5, 2018
Noble gas encapsulated B<sub>40</sub> cage
Sudip Pan, Manas Ghara, Susmita Kar, et al.
Chemical Science
|
March 24, 2018
Influence of axle length on the rate and mechanism of shuttling in rigid H-shaped [2]rotaxanes
Ghazale Gholami, Kelong Zhu, Giorgio Baggi, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
August 28, 2022
Influence of LiTaO<sub>3</sub> (0001) and KTaO<sub>3</sub> (001) Perovskites Structures on the Molecular Adsorption of Styrene and Styrene oxide: A Theoretical Insight by Periodic DFT Calculations
Felipe Toledo, Eduardo Schott, Mario Saavedra-Torres, et al.
The Journal of Physical Chemistry. A
|
December 17, 2025
Role of Cd<sup>2+</sup> and Ag<sup>+</sup> as Codoping Species in the Mechanism of the Luminescence Activation/Deactivation of a Ln<sup>3+</sup>@UiO-66-(COOH)<sub>2</sub> Chemical Sensor: A Quantum Chemistry Approach
Yoslainy Echevarria-Valdés, Yoan Hidalgo-Rosa, Eduardo Schott, et al.
ACS Omega
|
June 7, 2021
Zn(II)-tetracarboxy-phthalocyanine-Sensitized TiO<sub>2</sub> Thin Films as Antimicrobial Agents under Visible Irradiation: a Combined DFT and Experimental Study
William Vallejo, Karen Navarro, Carlos Díaz-Uribe, et al.
ACS Omega
|
August 7, 2023
Adsorption and Photocatalytic Degradation of Methylene Blue on TiO<sub>2</sub> Thin Films Impregnated with Anderson-Evans Al-Polyoxometalates: Experimental and DFT Study
Freider Duran, Carlos Diaz-Uribe, William Vallejo, et al.
Journal of Computational Chemistry
|
June 20, 2020
Sensing mechanism elucidation of a europium(III) metal-organic framework selective to aniline: A theoretical insight by means of multiconfigurational calculations
Yoan Hidalgo-Rosa, Manuel A Treto-Suárez, Eduardo Schott, et al.
Journal of Computational Chemistry
|
April 28, 2022
The quest for a bidirectional auxetic, elastic, and enhanced fracture toughness material: Revisiting the mechanical properties of the BeH<sub>2</sub> monolayers
Armando A Morin-Martinez, Jessica Arcudia, Ximena Zarate, et al.
The Journal of Physical Chemistry. A
|
July 19, 2019
Understanding the Selective-Sensing Mechanism of Al<sup>3+</sup> Cation by a Chemical Sensor Based on Schiff Base: A Theoretical Approach
Manuel A Treto-Suárez, Yoan Hidalgo-Rosa, Eduardo Schott, et al.
Journal of Molecular Modeling
|
October 6, 2022
Tuning the visible-NIR absorption of azulenocyanine-based photosensitizers
Kevin Granados-Tavera, Michael Zambrano-Angulo, Yoan Hidalgo-Rosa, et al.
Page
of 6