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Finding the 3D structure of a molecule in its IR spectrum

โœ Scribed by J. Gasteiger; J. Schuur; P. Selzer; L. Steinhauer; V. Steinhauer

Publisher
Springer
Year
1997
Tongue
English
Weight
250 KB
Volume
359
Category
Article
ISSN
1618-2650

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๐Ÿ“œ SIMILAR VOLUMES

The spectrum and structure of the C4 mol
The spectrum and structure of the C4 molecule
โœ Martin A. Nygren; Lars G.M. Pettersson ๐Ÿ“‚ Article ๐Ÿ“… 1992 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 257 KB

The lowest dipole-allowed transitions in the rhombic structure of the C4 molecule have been computed using multireference internally contracted ACPF methods and basis sets including f functions. The lowest transition (~B~u-lAg) accessible by dye-laser is predicted around 16000 cm-~. The linear 3E~-s