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Vibrational Analysis of Nucleic Acids. 2. Ab Initio Calculation of the Molecular Force Field and Normal Modes of Dimethyl Phosphate

✍ Scribed by Guan, Yifu; Choy, Godwin S.-C.; Glaser, Rainer; Thomas, George J.


Book ID
120424768
Publisher
American Chemical Society
Year
1995
Tongue
English
Weight
1021 KB
Volume
99
Category
Article
ISSN
0022-3654

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An ab initio calculation of the force fi
✍ P. Botschwina πŸ“‚ Article πŸ“… 1974 πŸ› Elsevier Science 🌐 English βš– 490 KB

The &monk foice field of mgh&neimine (HzCNH) in the A' symmetry species has been calculated.from ab initiq SCF wavefunctions and is compared with the force Gel& of ethylene and formaldehyde. Vibrational frequenties and normal modes of vibrations have been calculated in o&er to give an explanationof