147 citations · 304 across the 8 of their papers we have counts for
Showing 2018Show all
2 papers · 1 filter
cond-mat.soft2018★ 17 cited
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…
cond-mat.mtrl-sci2018★ 52 cited
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…