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Molecular mechanics calculations (MM2) on aliphatic nitriles

โœ Scribed by E. Goldstein; N.L. Allinger


Book ID
113256746
Publisher
Elsevier Science
Year
1989
Tongue
English
Weight
591 KB
Volume
188
Category
Article
ISSN
0166-1280

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๐Ÿ“œ SIMILAR VOLUMES


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โœ Elisheva Goldstein; Buyong Ma; Jenn-Huei Lii; Norman L. Allinger ๐Ÿ“‚ Article ๐Ÿ“… 1996 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 839 KB

The MM3 force field has been extended to include the nitriles and alkynes. Structures, heats of formation, dipole moments and conformational equilibria for aliphatic nitriles and alkynes compounds are fitted to within experimental error. The vibrational spectra for aliphatic nitriles and alkynes wer

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โœ Norman L. Allinger; Yi Fan ๐Ÿ“‚ Article ๐Ÿ“… 1993 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 966 KB

## Abstract The structures of several sulfones, including dimethyl sulfone, methyl ethyl sulfone, methyl vinyl sulfone, and diphenyl sulfone, have been fit with the MM3 force field to existing experimental data from electron diffraction and microwave spectroscopy. The vibrational spectra have also

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โœ N. L. Allinger; Liqun Yan; Kuohsiang Chen ๐Ÿ“‚ Article ๐Ÿ“… 1994 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 598 KB

The MM2 and MM3 force fields have been extended to cover this class of compounds. Structures, vibrational spectra, and other data for 13 compounds were examined and can be reproduced satisfactorily by MM3. Except for the spectra, the other data can be reproduced somewhat less well by MM2. by John Wi