The continuous set of gauge transformations method (CSGT) for calculating magnetic susceptibilities and nuclear magnetic shieldings reported by Keith and Bader is analyzed. To avoid numerical integration, analytical expressions are obtained for direct computation of the magnetic properties, which ar
โฆ LIBER โฆ
On CHF calculations of second-order magnetic properties using the method of continuous transformation of origin of the current density
โ Scribed by S. Coriani; P. Lazzeretti; M. Malagoli; R. Zanasi
- Publisher
- Springer
- Year
- 1994
- Tongue
- English
- Weight
- 731 KB
- Volume
- 89
- Category
- Article
- ISSN
- 1432-2234
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The study of phenomena transitions in polymers is of vital importance in material sciences and more particularly when polymers are adsorbed on oxides. Inverse gas chromatography (IGC) at infinite dilution proved to be an excellent technique to determine not only the glass transitions, but also ฮฒ-tra