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.
2015
Structure Elucidation in Organic Chemistry: The Search for the Right Tools
27
64
Puzzarini, C., Biczysko, M. (2015). Computational Spectroscopy Tools for Molecular Structure Analysis. Weinheim : Wiley Blackwell [10.1002/9783527664610.ch2].
Puzzarini, Cristina; Biczysko, Malgorzata
File in questo prodotto:
Eventuali allegati, non sono esposti

I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.

Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11585/589173
 Attenzione

Attenzione! I dati visualizzati non sono stati sottoposti a validazione da parte dell'ateneo

Citazioni
  • ???jsp.display-item.citation.pmc??? ND
  • Scopus 11
  • ???jsp.display-item.citation.isi??? 12
social impact