Vargas R - Search Results

1

Computational tools to study non-covalent interactions and confinement effects in chemical systems.

Vargas R, Garza J, Martínez A, Ibarra IA. Vargas R, et al. Chem Commun (Camb). 2024 Mar 12;60(22):3008-3018. doi: 10.1039/d3cc06347j. Chem Commun (Camb). 2024. PMID: 38376468 Review.

2

Confinement of H₂O and EtOH to enhance CO₂ capture in MIL-53(Al)-TDC.

González-Martínez GA , Jurado-Vázquez T , Solís-Ibarra D , Vargas B , Sánchez-González E , Martínez A , Vargas R , González-Zamora E , Ibarra IA . González-Martínez GA , et al. Among authors: vargas b, vargas r. Dalton Trans. 2018 Jul 17;47(28):9459-9465. doi: 10.1039/c8dt01369a. Dalton Trans. 2018. PMID: 29956710

3

Encapsulation of dopamine within SU-101: insights by computational chemistry.

Medel E, Obeso JL, Serrano-Fuentes C, Garza J, Ibarra IA, Leyva C, Inge AK, Martínez A, Vargas R. Medel E, et al. Among authors: vargas r. Chem Commun (Camb). 2023 Jul 11;59(56):8684-8687. doi: 10.1039/d3cc02304d. Chem Commun (Camb). 2023. PMID: 37345452

4

The Kohn-Sham kinetic energy density as indicator of the electron localization: atomic shell structure.

Navarrete-López AM, Garza J, Vargas R. Navarrete-López AM, et al. Among authors: vargas r. J Chem Phys. 2008 Mar 14;128(10):104110. doi: 10.1063/1.2837666. J Chem Phys. 2008. PMID: 18345880

5

Non-conventional hydrogen bonds: pterins-metal anions.

Vargas R, Martínez A. Vargas R, et al. Phys Chem Chem Phys. 2011 Jul 28;13(28):12775-84. doi: 10.1039/c1cp20134d. Epub 2011 Jun 22. Phys Chem Chem Phys. 2011. PMID: 21695329

6

Roothaan's approach to solve the Hartree-Fock equations for atoms confined by soft walls: Basis set with correct asymptotic behavior.

Rodriguez-Bautista M, Díaz-García C, Navarrete-López AM, Vargas R, Garza J. Rodriguez-Bautista M, et al. Among authors: vargas r. J Chem Phys. 2015 Jul 21;143(3):034103. doi: 10.1063/1.4926657. J Chem Phys. 2015. PMID: 26203010

7

CO₂ capture enhancement for InOF-1: confinement of 2-propanol.

Sánchez-Bautista JE , Landeros-Rivera B , Jurado-Vázquez T , Martínez A , González-Zamora E , Balmaseda J , Vargas R , Ibarra IA . Sánchez-Bautista JE , et al. Among authors: vargas r. Dalton Trans. 2019 Apr 16;48(16):5176-5182. doi: 10.1039/c9dt00384c. Dalton Trans. 2019. PMID: 30869732

8

Relevance of hydrogen bonding in CO₂ capture enhancement within InOF-1: an energy and vibrational analysis.

Lara-García HA, Landeros-Rivera B, González-Zamora E, Aguilar-Pliego J, Gómez-Cortés A, Martínez A, Vargas R, Diaz G, Ibarra IA. Lara-García HA, et al. Among authors: vargas r. Dalton Trans. 2019 Jun 28;48(24):8611-8616. doi: 10.1039/c9dt01266d. Epub 2019 May 9. Dalton Trans. 2019. PMID: 31070211

9

A quantum chemical approach representing a new perspective concerning agonist and antagonist drugs in the context of schizophrenia and Parkinson's disease.

Martínez A, Ibarra IA, Vargas R. Martínez A, et al. Among authors: vargas r. PLoS One. 2019 Dec 12;14(12):e0224691. doi: 10.1371/journal.pone.0224691. eCollection 2019. PLoS One. 2019. PMID: 31830046 Free PMC article.

10

Confined benzene within InOF-1: contrasting CO₂ and SO₂ capture behaviours.

Barrios-Vargas LJ, Ruiz-Montoya JG, Landeros-Rivera B, Álvarez JR, Alvarado-Alvarado D, Vargas R, Martínez A, González-Zamora E, Cáceres LM, Morales JC, Ibarra IA. Barrios-Vargas LJ, et al. Among authors: vargas r. Dalton Trans. 2020 Mar 3;49(9):2786-2793. doi: 10.1039/c9dt04667d. Dalton Trans. 2020. PMID: 32043501

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