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Scaled ab initio force field of E- and Z-hexatriene in the S0 and T1 states

✍ Scribed by Fabrizia Negri; Giorgio Orlandi; Francesco Zerbetto; Paolo Palmieri; Riccardo Tarroni

Publisher
Elsevier Science
Year
1993
Tongue
English
Weight
957 KB
Volume
178
Category
Article
ISSN
0301-0104

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✍ Allan R. Gregory; K.Glen Kidd πŸ“‚ Article πŸ“… 1980 πŸ› Elsevier Science 🌐 English βš– 280 KB

A new method based on scaled ab uutio force fields is mtroduced for c$culatrng evcttedstate viiratronal frequencies. Apphcatron to formaldehyde confirms the need to revrse the value of vg (A, HzCO), but not the value of va(z DaCO). Lasers have revolutiomzed electronic spectroscopy and photochemistr