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Journal of Chemical Information and Modeling
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May 30, 2020
He Inclusion in Ice-like and Clathrate-like Frameworks: A Benchmark Quantum Chemistry Study of Guest-Host Interactions
Raquel Yanes-Rodríguez, Daniel J Arismendi-Arrieta, Rita Prosmiti
The Journal of Physical Chemistry. A
|
June 7, 2012
Theoretical investigation of the He4Br2 conformers
Álvaro Valdés, Rita Prosmiti, Pablo Villarreal, et al.
The Journal of Chemical Physics
|
July 26, 2006
A theoretical study of He2ICl van der Waals cluster
Alvaro Valdés, Rita Prosmiti, Pablo Villarreal, et al.
The Journal of Chemical Physics
|
January 10, 2012
Theoretical characterization of intermolecular vibrational states through the multi-configuration time dependent Hartree approach: the He2,3ICl clusters
Alvaro Valdés, Rita Prosmiti, Pablo Villarreal, et al.
The Journal of Chemical Physics
|
August 10, 2011
Full-dimensional multi configuration time dependent Hartree calculations of the ground and vibrationally excited states of He2,3Br2 clusters
Alvaro Valdés, Rita Prosmiti, Pablo Villarreal, et al.
The Journal of Chemical Physics
|
June 21, 2012
Full-dimensional (15-dimensional) ab initio analytical potential energy surface for the H7+ cluster
Patricia Barragán, Rita Prosmiti, Yimin Wang, et al.
RSC Advances
|
July 3, 2026
Quantum vibrational study of the proton-bound [Ar-H-He]<sup>+</sup> mixed noble-gas dimer
María Judit Montes de Oca-Estévez, Álvaro Valdés, Rita Prosmiti
The Journal of Physical Chemistry. A
|
May 30, 2014
Energetics and solvation structure of a dihalogen dopant (I2) in (4)He clusters
Ricardo Pérez de Tudela, Patricia Barragán, Álvaro Valdés, et al.
Molecules (Basel, Switzerland)
|
June 13, 2025
Quantum Data-Driven Modeling of Interactions and Vibrational Spectral Bands in Cationic Light Noble-Gas Hydrides: [He<sub>2</sub>H]<sup>+</sup> and [Ne<sub>2</sub>H]<sup></sup>
María Judit Montes de Oca-Estévez, Álvaro Valdés, Rita Prosmiti
Physical Chemistry Chemical Physics : PCCP
|
February 12, 2024
A kernel-based machine learning potential and quantum vibrational state analysis of the cationic Ar hydride (Ar<sub>2</sub>H<sup>+</sup>)
María Judit Montes de Oca-Estévez, Álvaro Valdés, Rita Prosmiti
Page
of 7
Search research articles
Search
Showing results (41-50 of 70) with videos related to
Sort By:
Page
of 7
Journal of Chemical Information and Modeling
|
May 30, 2020
He Inclusion in Ice-like and Clathrate-like Frameworks: A Benchmark Quantum Chemistry Study of Guest-Host Interactions
Raquel Yanes-Rodríguez, Daniel J Arismendi-Arrieta, Rita Prosmiti
The Journal of Physical Chemistry. A
|
June 7, 2012
Theoretical investigation of the He4Br2 conformers
Álvaro Valdés, Rita Prosmiti, Pablo Villarreal, et al.
The Journal of Chemical Physics
|
July 26, 2006
A theoretical study of He2ICl van der Waals cluster
Alvaro Valdés, Rita Prosmiti, Pablo Villarreal, et al.
The Journal of Chemical Physics
|
January 10, 2012
Theoretical characterization of intermolecular vibrational states through the multi-configuration time dependent Hartree approach: the He2,3ICl clusters
Alvaro Valdés, Rita Prosmiti, Pablo Villarreal, et al.
The Journal of Chemical Physics
|
August 10, 2011
Full-dimensional multi configuration time dependent Hartree calculations of the ground and vibrationally excited states of He2,3Br2 clusters
Alvaro Valdés, Rita Prosmiti, Pablo Villarreal, et al.
The Journal of Chemical Physics
|
June 21, 2012
Full-dimensional (15-dimensional) ab initio analytical potential energy surface for the H7+ cluster
Patricia Barragán, Rita Prosmiti, Yimin Wang, et al.
RSC Advances
|
July 3, 2026
Quantum vibrational study of the proton-bound [Ar-H-He]<sup>+</sup> mixed noble-gas dimer
María Judit Montes de Oca-Estévez, Álvaro Valdés, Rita Prosmiti
The Journal of Physical Chemistry. A
|
May 30, 2014
Energetics and solvation structure of a dihalogen dopant (I2) in (4)He clusters
Ricardo Pérez de Tudela, Patricia Barragán, Álvaro Valdés, et al.
Molecules (Basel, Switzerland)
|
June 13, 2025
Quantum Data-Driven Modeling of Interactions and Vibrational Spectral Bands in Cationic Light Noble-Gas Hydrides: [He<sub>2</sub>H]<sup>+</sup> and [Ne<sub>2</sub>H]<sup></sup>
María Judit Montes de Oca-Estévez, Álvaro Valdés, Rita Prosmiti
Physical Chemistry Chemical Physics : PCCP
|
February 12, 2024
A kernel-based machine learning potential and quantum vibrational state analysis of the cationic Ar hydride (Ar<sub>2</sub>H<sup>+</sup>)
María Judit Montes de Oca-Estévez, Álvaro Valdés, Rita Prosmiti
Page
of 7