2 citations · 2 across the 1 of their papers we have counts for
3 papers
Local intermolecular structure, hydrogen bonding and related dynamics in the liquid cis/trans N-methylformamide mixture: A density functional theory based Born-Oppenheimer molecular dynamics study
Ioannis Skarmoutsos, Ricardo L. Mancera, Stefano Mossa +1
The local intermolecular structure and related dynamics in the liquid cis-trans N-methylformamide mixture at ambient temperature and density conditions have been systematically stu…
The effect of polymorphism on the structural, dynamic and dielectric properties of plastic crystal water: A molecular dynamics simulation perspective
Ioannis Skarmoutsos, Stefano Mossa, Elvira Guardia
We have employed molecular dynamics simulations based on the TIP4P/2005 water model to investigate the local structural, dynamical, and dielectric properties of the two recently re…
Solvent and salt effect on Lithium ion solvation and contact ion pair formation in organic carbonates: a quantum chemical perspective
Veerapandian Ponnuchamy, Stefano Mossa, Ioannis Skarmoutsos
Quantum chemical calculations have been employed to investigate the solvation of lithium cations in ethylene carbonate/propylene carbonate and propylene carbonate/dimethyl carbonat…