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- W4309600496 endingPage "52" @default.
- W4309600496 startingPage "29" @default.
- W4309600496 abstract "Gas-phase molecular spectroscopy is a natural playground for accurate quantum-chemical computations. However, the molecular bricks of life (e.g., DNA bases or amino acids) are challenging systems because of the unfavorable scaling of quantum-chemical models with the molecular size (active electrons) and/or the presence of large-amplitude internal motions. From the theoretical point of view, both aspects prevent the brute-force use of very accurate but very expensive state-of-the-art quantum-chemical methodologies. From the experimental point of view, both features lead to congested gas-phase spectra, whose assignment and interpretation are not at all straightforward. Based on these premises, this review focuses on the current status and perspectives of the fully a priori prediction of the spectral signatures of medium-sized molecules (containing up to two dozen atoms) in the gas phase with special reference to rotational and vibrational spectroscopies of some representative molecular bricks of life." @default.
- W4309600496 created "2022-11-28" @default.
- W4309600496 creator A5076208473 @default.
- W4309600496 creator A5082466098 @default.
- W4309600496 date "2023-04-24" @default.
- W4309600496 modified "2023-10-06" @default.
- W4309600496 title "Gas-Phase Computational Spectroscopy: The Challenge of the Molecular Bricks of Life" @default.
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