Liquid water interfaces are ubiquitous and important in chemistry and the environment.
Thus, with the advent of interface specific nonlinear optical spectroscopies, such interfaces …

This article summarizes the computational analysis of the vibrational sum frequency
generation (SFG) spectroscopy with molecular dynamics simulation. The analysis allows …

Sum frequency generation (SFG) spectroscopy is a powerful experimental technique to
probe surface structures. This paper presents a new theoretical mode of nonempirical …

An electronic structure/molecular dynamics approach, originally developed to describe the
vibrational spectroscopy of the OH stretch of dilute HOD in liquid D 2 O⁠, is applied to the …

We report the sum frequency generation (SFG) spectra of aqueous sodium iodide interfaces
computed with the methodology outlined by Morita and Hynes (J. Phys. Chem. B 2002, 106 …

Theoretical approximations to the interface specific sum frequency generation (SFG)
spectrum of O–H stretching at the water/vapor interface are constructed using time …

The infrared-visible sum frequency generation (SFG) spectrum of the surface of water was
calculated with significantly improved accuracy via the time-dependent formalism we have …

An improved time correlation function (TCF) description of sum frequency generation (SFG)
spectroscopy was developed and applied to theoretically describing the spectroscopy of the …

An improved time correlation function description of sum frequency generation (SFG)
spectroscopy was applied to theoretically describe the water/vapor interface. The resulting …

We establish a quantum kinetic equation describing the transport properties of the vibrons in
a molecular monolayer adsorbed on a dielectric substrate. A renormalization procedure is …