Adsorption of molecular hydrogen (H2) on a fullerene (C60) surface: insights from density functional theory and molecular dynamics simulation DOI Creative Commons
Muhammad Tariq Aziz, Waqas Amber Gill, Muhammad Kaleem Khosa

et al.

RSC Advances, Journal Year: 2024, Volume and Issue: 14(49), P. 36546 - 36556

Published: Jan. 1, 2024

This study investigates fullerene's (C 60 ) adsorption capabilities for molecular hydrogen (H 2 by analyzing its interactions with various random conformations.

Language: Английский

The interatomic bond between Cd and noble gas atoms: The nature of the intermolecular forces, the stability of the adducts, their spectroscopic and thermodynamical properties DOI
Rhuiago Mendes de Oliveira, L. Sousa,

Alynne Vieira Gregorio

et al.

Computational and Theoretical Chemistry, Journal Year: 2025, Volume and Issue: unknown, P. 115238 - 115238

Published: April 1, 2025

Language: Английский

Citations

0
Adsorption of molecular hydrogen (H2) on a fullerene (C60) surface: insights from density functional theory and molecular dynamics simulation DOI Creative Commons
Muhammad Tariq Aziz, Waqas Amber Gill, Muhammad Kaleem Khosa

et al.

RSC Advances, Journal Year: 2024, Volume and Issue: 14(49), P. 36546 - 36556

Published: Jan. 1, 2024

This study investigates fullerene's (C 60 ) adsorption capabilities for molecular hydrogen (H 2 by analyzing its interactions with various random conformations.

Language: Английский

Citations

0