Irregular structure of the hydrated Ag+ in aqueous solution and its Dynamics: An insight from perturbation theory hybrid forces molecular dynamics simulation

by Prasetyo, Niko
Published 2022

Lability of the first solvation shell of silver cations in liquid ammonia: A quantum mechanical charge field molecular dynamics simulation study

by Prasetyo, Niko, Hidayat, Yuniawan
Published 2022

Theoretical investigation on the structure of mixed-metal zeolitic imidazolate framework and its interaction with CO2

by Pambudi, Fajar Inggit, Prasetyo, Niko
Published 2022

Effect of Pt cluster size on CO2 adsorption and activation on (110) and (100) γ-alumina surfaces: insights from DFT using a periodic boundary approach

by Prasetyo, Niko, Wicaksono, Hanan Rizal
Published 2022

Fate of Water Molecules on (11-20) and (1-102) α-Alumina Surfaces: 2D Periodic Self-Consistent Charge-Density Functional Tight-Binding/Molecular Mechanics Molecular Dynamics Study

by Prasetyo, Niko, Oktarini, Ahya Aulia, Pradipta, Mokhammad Fajar
Published 2022