Vibrational spectral diffusion in supercritical D2O from first principles: An interplay between the dynamics of hydrogen bonds, dangling OD groups, and inertial rotation
A first principles theoretical study of vibrational spectral diffusion and hydrogen bond dynamics in aqueous ionic solutions: D2O in hydration shells of Cl- ions
Authors: Bhabani S. Mallik; A. Semparithi; Amalendu Chandra
A first principles molecular dynamics study of excess electron and lithium atom solvation in water-ammonia mixed clusters: Structural, spectral, and dynamical behaviors of [(H 2 O) 5 NH 3] - And Li(H 2 O) 5 NH 3 at finite temperature
A first principles molecular dynamics study of lithium atom solvation in binary liquid mixture of water and ammonia: Structural, electronic, and dynamical properties