Introduction to Vibrational Spectroscopy

This book provides a unique introduction for experimentalists to theoretically calculate vibrational (IR, Raman, SFG) spectra of molecules in liquid and solid phases.

Importance of Vibrational Spectroscopy

Vibrational spectroscopy is the most popular and valuable tool for scientists to obtain physicochemical insight into complex molecular systems.

Advancements in Spectral Prediction

Although standard softwares of quantum chemistry calculations routinely provide predictions of spectra, this book describes dynamic aspects and spectroscopic accuracy enough to compare our experimental data directly to computations, which are lacking in the softwares.

Methodology and Audience

The quantum/classical mixed approach presented in this book allows researchers, including graduate students of chemistry and physics, to extract microscopic information of structure and dynamics from their vibrational spectroscopic experimental data with no help from theoreticians.