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Details for article 1 of 6 found articles
| Title: |
Calculation of Some Structural Features of Polyethylene Oxide |
| Author: |
Abdul-ahad, Pauls G. Al-madfai, Suham H. F. |
| Appeared in: |
International journal of polymeric materials |
| Paging: | Volume 12 (1989) nr. 3 pages 251-259 |
| Year: |
1989-01-01 |
| Contents: |
Calculation are performed on seven units of ethylene oxide of molecular weight (44.05-309.37), using empirical and semi-empirical methods. Electronic indices such as. polarizability, total energy, charge-transfer energy are calculated using CNDO/2 method. The interaction energy contribution of these polymers with surrounded water molecules are calculated. The van der Waals radius, surface area, cavity surface area and molecular volume are calculated. A significant correlations are obtained between the calculated size indices and molecular weight of the polyethylene oxide. These regressions can be used to predict the size indices for polyethylene oxide of higher molecular weights. |
| Publisher: |
Taylor & Francis |
| Source file: |
Elektronische Wetenschappelijke Tijdschriften |
Details for article 1 of 6 found articles
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