Calculations of molecular vibrational fr
โ
Michael B. Coolidge; John E. Marlin; James J. P. Stewart
๐
Article
๐
1991
๐
John Wiley and Sons
๐
English
โ 446 KB
๐ 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