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A preliminary method of frequency assignment to molecular vibrations

โœ Scribed by G. Chauvet; B. Taravel; V. Lorenzelli


Publisher
Elsevier Science
Year
1974
Tongue
English
Weight
402 KB
Volume
20
Category
Article
ISSN
0022-2860

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Calculations of molecular vibrational fr
โœ Michael B. Coolidge; John E. Marlin; James J. P. Stewart ๐Ÿ“‚ Article ๐Ÿ“… 1991 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 446 KB ๐Ÿ‘ 1 views

PM3 calculations of molecular vibrational frequencies are reported for 61 molecules. All techniques were applied to both well-behaved and badly behaved systems. Overall, MIND0/3 and MNDO were found to contain rather large errors whereas AM1 and PM3 were relatively accurate. Since no technique does w