COORDINATES FOR CALCULATING VIBRATIONAL FREQUENCIES IN CHAIN MOLECULES
Technical Report
·
OSTI ID:4125570
Recent studies of the energy exchanges of slow neutrons with molecules has led to work on the vibrational frequencies and associated normal modes of hydrocarbons. A general method is given for obtaining coordinates suited to calculating the vibrational frequencies for any symmetrical chain molecule. The method is well suited to machine calculations. It is particularly well adapted to those hydroing mainly motions of hydrogen atoms separately from those involving translational and rotational displacements of groups like CH/sub 3/, CH/ sub 2/, etc. The method is illustrated by detailed application to normal paraffins. (auth)
- Research Organization:
- Phillips Petroleum Co. Atomic Energy Div., Idaho Falls, Idaho
- DOE Contract Number:
- AT(10-1)-205
- NSA Number:
- NSA-15-000745
- OSTI ID:
- 4125570
- Report Number(s):
- IDO-16605
- Country of Publication:
- United States
- Language:
- English
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