Daniel Moberg

Publications

• Thermal weights for semiclassical vibrational response functions
• Mechanism of Hydrodeoxygenation of Acrolein on a Cluster Model of MoO3
• On the accuracy of the MB-pol many-body potential for water: Interaction energies, vibrational frequencies, and classical thermodynamic and dynamical properties from clusters to liquid water and ice
• Temperature Dependence of the Air/Water Interface Revealed by Polarization Sensitive Sum-Frequency Generation Spectroscopy
• Temperature-dependent vibrational spectra and structure of liquid water from classical and quantum simulations with the MB-pol potential energy function
• Molecular Origin of the Vibrational Structure of Ice Ih