Molecular Mechanics and Calorimetric Studies of Phosphatidylethanols
β Scribed by Shusen Li; Hainan Lin; Guoquan Wang; Ching-hsien Huang
- Book ID
- 115568543
- Publisher
- Elsevier Science
- Year
- 2001
- Tongue
- English
- Weight
- 350 KB
- Volume
- 385
- Category
- Article
- ISSN
- 0003-9861
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π SIMILAR VOLUMES
The MM4 force field has been extended to the title class of compounds. The vibrational spectra, structures, conformational equilibria, and heats of formation have been studied for 47 conformers of 29 compounds. In general, the properties may be calculated with accuracy that is competitive with that
The MM2 and MM3 force fields have now been parameterized for ketene and its various derivatives. With the addition of the C,,=O bond stretching and C,,2=C,,=O bond bending parameters, calculations were performed on ketene and six substituted ketene compounds. The MM2 results are quite good with only