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Physical Chemistry Chemical Physics : PCCP
|
June 10, 2022
Quantum molecular simulations of micro-hydrated halogen anions
Raúl Rodríguez-Segundo, Alfonso Gijón, Rita Prosmiti
Journal of Chemical Theory and Computation
|
August 23, 2021
Encapsulation of a Water Molecule inside C<sub>60</sub> Fullerene: The Impact of Confinement on Quantum Features
Orlando Carrillo-Bohórquez, Álvaro Valdés, Rita Prosmiti
Physical Chemistry Chemical Physics : PCCP
|
April 3, 2025
Microsolvation of cationic alkali dimers in helium: quantum delocalization and solid-like/liquid-like behaviors of He shells
Raquel Yanes-Rodríguez, Pablo Villarreal, Rita Prosmiti
The Journal of Physical Chemistry. A
|
November 2, 2016
Temperature Dependence of HeBr<sub>2</sub> Isomers' Stability through Rovibrational Multiconfiguration Time-Dependent Hartree Calculations
Orlando Carrillo-Bohórquez, Álvaro Valdés, Rita Prosmiti
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
September 18, 2023
Computational Energy Spectra of the H<sub>2</sub> O@C<sub>70</sub> Endofullerene
Orlando Carrillo-Bohórquez, Álvaro Valdés, Rita Prosmiti
Physical Chemistry Chemical Physics : PCCP
|
November 21, 2020
Modelling interactions of cationic dimers in He droplets: microsolvation trends in He<sub>n</sub>K<sub>2</sub><sup>+</sup> clusters
Nissrin Alharzali, Raúl Rodríguez-Segundo, Rita Prosmiti
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
March 15, 2022
Unraveling the Origin of Symmetry Breaking in H<sub>2</sub> O@C<sub>60</sub> Endofullerene Through Quantum Computations
Orlando Carrillo-Bohórquez, Álvaro Valdés, Rita Prosmiti
Journal of Chemical Theory and Computation
|
November 13, 2018
Fully Coupled Quantum Treatment of Nanoconfined Systems: A Water Molecule inside a Fullerene C<sub>60</sub>
Álvaro Valdés, Orlando Carrillo-Bohórquez, Rita Prosmiti
Journal of Molecular Modeling
|
June 20, 2014
Computational study of interactions and nuclear magnetic shielding constants in linear chains of formamide clusters
Marina Sánchez, Rita Prosmiti, Gerardo Delgado-Barrio
Frontiers in Chemistry
|
May 28, 2021
Computational Characterization of Astrophysical Species: The Case of Noble Gas Hydride Cations
María Judit Montes de Oca-Estévez, Rita Prosmiti
Page
of 7
Search research articles
Search
Showing results (21-30 of 70) with videos related to
Sort By:
Page
of 7
Physical Chemistry Chemical Physics : PCCP
|
June 10, 2022
Quantum molecular simulations of micro-hydrated halogen anions
Raúl Rodríguez-Segundo, Alfonso Gijón, Rita Prosmiti
Journal of Chemical Theory and Computation
|
August 23, 2021
Encapsulation of a Water Molecule inside C<sub>60</sub> Fullerene: The Impact of Confinement on Quantum Features
Orlando Carrillo-Bohórquez, Álvaro Valdés, Rita Prosmiti
Physical Chemistry Chemical Physics : PCCP
|
April 3, 2025
Microsolvation of cationic alkali dimers in helium: quantum delocalization and solid-like/liquid-like behaviors of He shells
Raquel Yanes-Rodríguez, Pablo Villarreal, Rita Prosmiti
The Journal of Physical Chemistry. A
|
November 2, 2016
Temperature Dependence of HeBr<sub>2</sub> Isomers' Stability through Rovibrational Multiconfiguration Time-Dependent Hartree Calculations
Orlando Carrillo-Bohórquez, Álvaro Valdés, Rita Prosmiti
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
September 18, 2023
Computational Energy Spectra of the H<sub>2</sub> O@C<sub>70</sub> Endofullerene
Orlando Carrillo-Bohórquez, Álvaro Valdés, Rita Prosmiti
Physical Chemistry Chemical Physics : PCCP
|
November 21, 2020
Modelling interactions of cationic dimers in He droplets: microsolvation trends in He<sub>n</sub>K<sub>2</sub><sup>+</sup> clusters
Nissrin Alharzali, Raúl Rodríguez-Segundo, Rita Prosmiti
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
March 15, 2022
Unraveling the Origin of Symmetry Breaking in H<sub>2</sub> O@C<sub>60</sub> Endofullerene Through Quantum Computations
Orlando Carrillo-Bohórquez, Álvaro Valdés, Rita Prosmiti
Journal of Chemical Theory and Computation
|
November 13, 2018
Fully Coupled Quantum Treatment of Nanoconfined Systems: A Water Molecule inside a Fullerene C<sub>60</sub>
Álvaro Valdés, Orlando Carrillo-Bohórquez, Rita Prosmiti
Journal of Molecular Modeling
|
June 20, 2014
Computational study of interactions and nuclear magnetic shielding constants in linear chains of formamide clusters
Marina Sánchez, Rita Prosmiti, Gerardo Delgado-Barrio
Frontiers in Chemistry
|
May 28, 2021
Computational Characterization of Astrophysical Species: The Case of Noble Gas Hydride Cations
María Judit Montes de Oca-Estévez, Rita Prosmiti
Page
of 7