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Physical Chemistry Chemical Physics : PCCP
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October 22, 2025
How the hyperconjugation interaction affects intrinsic reactivity in an S<sub>N</sub>2 reaction
Leonardo Saravia F, Jorge Gutiérrez-Flores, Eduardo H Huerta, et al.
Scientific Reports
|
December 10, 2020
New information of dopaminergic agents based on quantum chemistry calculations
Guillermo Goode-Romero, Ulrika Winnberg, Laura Domínguez, et al.
Physical Review. E
|
May 19, 2021
Ionization of many-electron atoms by the action of two plasma models
Michael-Adán Martínez-Sánchez, César Martínez-Flores, Rubicelia Vargas, et al.
RSC Advances
|
May 6, 2022
Non-covalent interactions between sertraline stereoisomers and 2-hydroxypropyl-β-cyclodextrin: a quantum chemistry analysis
Joanatan-Michael Bautista-Renedo, Erick Cuevas-Yañez, Horacio Reyes-Pérez, et al.
ACS Omega
|
January 19, 2026
The Crucial Role of Noncovalent Interactions in PLGA Nanoparticles: Impact on Carvacrol/<i>p</i>‑Cymene Release, Biological Activity, and Antibiofilm Properties
Alejandra Romero-Montero, Erika Medel, Jorge Gutiérrez-Flores, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 3, 2020
A detailed description of the CO molecule adsorbed in InOF-1
Bruno Landeros-Rivera, Ilich A Ibarra, Mariana L Díaz-Ramírez, et al.
Chemical Communications (Cambridge, England)
|
June 22, 2023
Encapsulation of dopamine within SU-101: insights by computational chemistry
Erika Medel, Juan L Obeso, Camilo Serrano-Fuentes, et al.
Dalton Transactions (Cambridge, England : 2003)
|
March 15, 2019
CO<sub>2</sub> capture enhancement for InOF-1: confinement of 2-propanol
Jonathan E Sánchez-Bautista, Bruno Landeros-Rivera, Tamara Jurado-Vázquez, et al.
The Journal of Physical Chemistry. B
|
April 2, 2026
Residue-Level Affinity Decomposition via Quantum Electron Density: A Multivariable Framework Applied to HIV-1 Protease Inhibitors
Jorge Gutiérrez-Flores, Gerardo Padilla-Bernal, César Sánchez-Juárez, et al.
Journal of Computational Chemistry
|
October 28, 2014
Grid-based algorithm to search critical points, in the electron density, accelerated by graphics processing units
Raymundo Hernández-Esparza, Sol-Milena Mejía-Chica, Andy D Zapata-Escobar, et al.
Page
of 5
Search research articles
Search
Showing results (31-40 of 49) with videos related to
Sort By:
Page
of 5
Physical Chemistry Chemical Physics : PCCP
|
October 22, 2025
How the hyperconjugation interaction affects intrinsic reactivity in an S<sub>N</sub>2 reaction
Leonardo Saravia F, Jorge Gutiérrez-Flores, Eduardo H Huerta, et al.
Scientific Reports
|
December 10, 2020
New information of dopaminergic agents based on quantum chemistry calculations
Guillermo Goode-Romero, Ulrika Winnberg, Laura Domínguez, et al.
Physical Review. E
|
May 19, 2021
Ionization of many-electron atoms by the action of two plasma models
Michael-Adán Martínez-Sánchez, César Martínez-Flores, Rubicelia Vargas, et al.
RSC Advances
|
May 6, 2022
Non-covalent interactions between sertraline stereoisomers and 2-hydroxypropyl-β-cyclodextrin: a quantum chemistry analysis
Joanatan-Michael Bautista-Renedo, Erick Cuevas-Yañez, Horacio Reyes-Pérez, et al.
ACS Omega
|
January 19, 2026
The Crucial Role of Noncovalent Interactions in PLGA Nanoparticles: Impact on Carvacrol/<i>p</i>‑Cymene Release, Biological Activity, and Antibiofilm Properties
Alejandra Romero-Montero, Erika Medel, Jorge Gutiérrez-Flores, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 3, 2020
A detailed description of the CO molecule adsorbed in InOF-1
Bruno Landeros-Rivera, Ilich A Ibarra, Mariana L Díaz-Ramírez, et al.
Chemical Communications (Cambridge, England)
|
June 22, 2023
Encapsulation of dopamine within SU-101: insights by computational chemistry
Erika Medel, Juan L Obeso, Camilo Serrano-Fuentes, et al.
Dalton Transactions (Cambridge, England : 2003)
|
March 15, 2019
CO<sub>2</sub> capture enhancement for InOF-1: confinement of 2-propanol
Jonathan E Sánchez-Bautista, Bruno Landeros-Rivera, Tamara Jurado-Vázquez, et al.
The Journal of Physical Chemistry. B
|
April 2, 2026
Residue-Level Affinity Decomposition via Quantum Electron Density: A Multivariable Framework Applied to HIV-1 Protease Inhibitors
Jorge Gutiérrez-Flores, Gerardo Padilla-Bernal, César Sánchez-Juárez, et al.
Journal of Computational Chemistry
|
October 28, 2014
Grid-based algorithm to search critical points, in the electron density, accelerated by graphics processing units
Raymundo Hernández-Esparza, Sol-Milena Mejía-Chica, Andy D Zapata-Escobar, et al.
Page
of 5