Packing energy calculations for isotactic polypropylene chains have been performed with the purpose: (a) to predict the most stable kind of monoclinic lattice for the a-modification; (b) to contribute to the understanding of the structural disorder which is commonly found in the c~-modification; (c)
On the determination of interaction energy functions II. Crystalline formic acid
β Scribed by William P Minicozzi; Michael T Stroot
- Publisher
- Elsevier Science
- Year
- 1970
- Tongue
- English
- Weight
- 469 KB
- Volume
- 6
- Category
- Article
- ISSN
- 0021-9991
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π SIMILAR VOLUMES
The behavior of the Ir electrode in formic acid solutions of different pH values was studied by cyclic voltammetry. The pH range was 1.6-12. Three different pH zones were observed: in the range 1.6-6 the intensity of formic acid oxidation increases with increasing pH; in the range 6-7, the intensity
## Abstract An optimized potential function for baseβstacking interaction is constructed. Stacking energies between the complementary pairs of a dimer are calculated as a function of the rotational angle and separation distance. Using several different sets of atomic charges, the electrostatic comp