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Determination of the charge distribution of methane by a method of density constraints

โœ Scribed by R. F. W. Bader; H. J. T. Preston


Publisher
Springer
Year
1970
Tongue
English
Weight
650 KB
Volume
17
Category
Article
ISSN
1432-2234

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๐Ÿ“œ SIMILAR VOLUMES


Calculation of partition coefficients by
โœ Gilles Klopman; Linda D. Iroff ๐Ÿ“‚ Article ๐Ÿ“… 1981 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 357 KB

## Abstract A new method is presented for the calculation of partition coefficients of solutes in water lipid systems. Log __P__ values are calculated based on the charge densities of the atoms as determined by quantum mechanical methods. In this article, the results have been obtained from charge