This review provides a computational chemist’s perspective of rotational spectros- copy and discusses the theoretical background and application of state-of-the-art quantum-chemical methods for the accurate determination of the relevant spectroscopic parameters.
C. Puzzarini, J. F. Stanton, J. Gauss (2010). Quantum-chemical calculation of spectroscopic parameter for rotational spectroscopy. INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY, 29, 273-367 [10.1080/01442351003643401].
Quantum-chemical calculation of spectroscopic parameter for rotational spectroscopy
PUZZARINI, CRISTINA;
2010
Abstract
This review provides a computational chemist’s perspective of rotational spectros- copy and discusses the theoretical background and application of state-of-the-art quantum-chemical methods for the accurate determination of the relevant spectroscopic parameters.File in questo prodotto:
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