Vibrational spectroscopy is an essential tool in chemical analyses, biological assays, and
studies of functional materials. Over the past decade, various coherent nonlinear vibrational …

The first step toward understanding most of the chemical and biological processes in
condensed phases is to accurately describe solute− solvent interaction energy and to …

Vibrational spectroscopy provides a direct route to the physicochemical characterization of
molecules. While both IR and Raman spectroscopy have been used for decades to provide …

Elucidating the underlying molecular mechanisms of protein folding and function is a very
exciting and active research area, but poses significant challenges. This is due in part to the …

This paper presents an overview of recent experiments and theoretical developments aimed
at using vibrational spectroscopy to understand the structure and dynamics of nitrile-labeled …

Maps that relate spectroscopic properties of a vibrational mode and collective solvent
coordinates have proven useful in theoretical vibrational spectroscopy of condensed-phase …

Amyloid diseases, including neurodegenerative diseases such as Alzheimer's and
Parkinson's, are linked to a poorly understood progression of protein misfolding and …

The spectroscopy of two flexible hydrocarbons, 1, 2-diphenylethane (DPE) and 2, 2, 2-
paracyclophane (TCP) is presented, and a predictive theoretical model for describing the …

The primary challenge for connecting molecular dynamics (MD) simulations to linear and
two-dimensional infrared measurements is the calculation of the vibrational frequency for the …

NAD (P) H cofactors are found in all forms of life and are essential for electron and hydrogen
atom transfer. The linear response of a carbon–deuterium (C–D) vibration based on the …