An overview of the theoretical background and computational requirements needed for molecular structure analysis by means of spectroscopic techniques is provided. Different types of spectroscopy are considered: the account spans across rotational motion to electronic transitions. Particular emphasis is given to the interplay of experiment and theory, and illustrative examples have been chosen.
Puzzarini, C., Biczysko, M. (2015). Computational Spectroscopy Tools for Molecular Structure Analysis. Weinheim : Wiley Blackwell [10.1002/9783527664610.ch2].
Computational Spectroscopy Tools for Molecular Structure Analysis
PUZZARINI, CRISTINA;
2015
Abstract
An overview of the theoretical background and computational requirements needed for molecular structure analysis by means of spectroscopic techniques is provided. Different types of spectroscopy are considered: the account spans across rotational motion to electronic transitions. Particular emphasis is given to the interplay of experiment and theory, and illustrative examples have been chosen.File in questo prodotto:
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