Search research articles
Contact Us
Filters
Showing results (1-10 of 11) with videos related to
Page
of 2
Sort By:
The Journal of Chemical Physics
|
January 14, 2026
Definitions of atoms in molecules with the modified Dirac equations
Andy D Zapata-Escobar, Alejandro F Maldonado
The Journal of Chemical Physics
|
July 8, 2025
Relativistic definitions of atoms in molecules with the modified Dirac equation
Andy D Zapata-Escobar, Alejandro F Maldonado
The Journal of Chemical Physics
|
December 12, 2025
Performance of GESC and LRESC models for heavy-atom nuclear magnetic shieldings
Andy D Zapata-Escobar, Juan I Melo, Gustavo A Aucar
The Journal of Physical Chemistry. A
|
December 13, 2022
The LRESC-Loc Model to Analyze Magnetic Shieldings with Localized Molecular Orbitals
Andy D Zapata Escobar, Alejandro F Maldonado, Gustavo A Aucar
Physical Chemistry Chemical Physics : PCCP
|
December 24, 2025
Coordination of lead(II) in solvated clusters with water [Pb(H<sub>2</sub>O)<sub>1-8</sub>]<sup>2+</sup>: insights from relativistic effects, energy analysis, molecular orbitals, and electron density
Andy D Zapata-Escobar, Franklin Ferraro, Edison Flórez, et al.
Journal of Chemical Theory and Computation
|
April 28, 2025
Molecular Response Properties, Electron Correlation, and Quantum Entanglement
Daniel F E Bajac, Andy D Zapata Escobar, Gustavo A Aucar
Journal of Molecular Modeling
|
January 6, 2019
Understanding the nature of bonding interactions in the carbonic acid dimers
Andy D Zapata-Escobar, Juliana Andrea Murillo-López, C Z Hadad, et al.
The Journal of Chemical Physics
|
April 1, 2026
The potential energy surface, thermochemistry, and cooperative hydrogen bonding in the water octamer
Ana Arango, Andy D Zapata-Escobar, Santiago Gómez, et al.
Physical Chemistry Chemical Physics : PCCP
|
February 2, 2023
Relativistic quantum calculations to understand the contribution of f-type atomic orbitals and chemical bonding of actinides with organic ligands
Andy D Zapata-Escobar, Srimanta Pakhira, Joaquin Barroso-Flores, et al.
The Journal of Physical Chemistry. A
|
September 6, 2023
Coordination of Mercury(II) in Water Promoted over Hydrolysis in Solvated Clusters [Hg(H<sub>2</sub>O)<sub>1-6</sub>]<sub>(aq)</sub><sup>2+</sup>: Insights from Relativistic Effects and Free Energy Analysis
Edison Florez, Andy D Zapata-Escobar, Franklin Ferraro, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 11) with videos related to
Sort By:
Page
of 2
The Journal of Chemical Physics
|
January 14, 2026
Definitions of atoms in molecules with the modified Dirac equations
Andy D Zapata-Escobar, Alejandro F Maldonado
The Journal of Chemical Physics
|
July 8, 2025
Relativistic definitions of atoms in molecules with the modified Dirac equation
Andy D Zapata-Escobar, Alejandro F Maldonado
The Journal of Chemical Physics
|
December 12, 2025
Performance of GESC and LRESC models for heavy-atom nuclear magnetic shieldings
Andy D Zapata-Escobar, Juan I Melo, Gustavo A Aucar
The Journal of Physical Chemistry. A
|
December 13, 2022
The LRESC-Loc Model to Analyze Magnetic Shieldings with Localized Molecular Orbitals
Andy D Zapata Escobar, Alejandro F Maldonado, Gustavo A Aucar
Physical Chemistry Chemical Physics : PCCP
|
December 24, 2025
Coordination of lead(II) in solvated clusters with water [Pb(H<sub>2</sub>O)<sub>1-8</sub>]<sup>2+</sup>: insights from relativistic effects, energy analysis, molecular orbitals, and electron density
Andy D Zapata-Escobar, Franklin Ferraro, Edison Flórez, et al.
Journal of Chemical Theory and Computation
|
April 28, 2025
Molecular Response Properties, Electron Correlation, and Quantum Entanglement
Daniel F E Bajac, Andy D Zapata Escobar, Gustavo A Aucar
Journal of Molecular Modeling
|
January 6, 2019
Understanding the nature of bonding interactions in the carbonic acid dimers
Andy D Zapata-Escobar, Juliana Andrea Murillo-López, C Z Hadad, et al.
The Journal of Chemical Physics
|
April 1, 2026
The potential energy surface, thermochemistry, and cooperative hydrogen bonding in the water octamer
Ana Arango, Andy D Zapata-Escobar, Santiago Gómez, et al.
Physical Chemistry Chemical Physics : PCCP
|
February 2, 2023
Relativistic quantum calculations to understand the contribution of f-type atomic orbitals and chemical bonding of actinides with organic ligands
Andy D Zapata-Escobar, Srimanta Pakhira, Joaquin Barroso-Flores, et al.
The Journal of Physical Chemistry. A
|
September 6, 2023
Coordination of Mercury(II) in Water Promoted over Hydrolysis in Solvated Clusters [Hg(H<sub>2</sub>O)<sub>1-6</sub>]<sub>(aq)</sub><sup>2+</sup>: Insights from Relativistic Effects and Free Energy Analysis
Edison Florez, Andy D Zapata-Escobar, Franklin Ferraro, et al.
Page
of 2