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Vibrational frequencies of the ã (1A2) and ã(3a2) nπ states of formaldehyde. scaled ab initio force fields - A new application

✍ Scribed by Allan R. Gregory; K.Glen Kidd

Publisher: Elsevier Science
Year: 1980
Tongue: English
Weight: 280 KB
Volume: 72
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(80)80312-5

No coin nor oath required. For personal study only.

✦ Synopsis

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 photochemistry * Issued as NRCC number 17616.

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