2 papers
physics.chem-ph2026
Predicting the hydrogen bond strength from water reorientation dynamics at short timescales
Frederik Zysk, Ana Vila Verde, Naveen K. Kaliannan +2
Path-integral molecular dynamics simulations and electronic structure-based energy decomposition analysis (EDA) are employed to connect hydrogen bond (H-bond) strength, its asymmet…
cond-mat.soft2020
Energy Transfer within the Hydrogen Bonding Network of Water Following Resonant Terahertz Excitation
Hossam Elgabarty, Tobias Kampfrath, Douwe Jan Bonthuis +7
Energy dissipation in water is very fast and more efficient than in many other liquids. This behavior is commonly attributed to the intermolecular interactions associated with hydr…