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Showing 1 to 2 of 2 for “"actinide compounds"”.
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Computational investigations of the electronic structure of molecular actinide compounds
… thesis the electronic structure of a range of actinide compounds has been investigated using density functional theory. The reason for using DFT instead of other methods is mainly due to the size of the compounds which makes multireference calculations prohibitively expensive, but also to make …
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Magnetochemische Analyse und Modellierung von d N -, 4f 7 - und 5f N -Systemen mit dem Computerprogramm CONDON
… and exchange-coupled transition metal compounds as well as lanthanide and actinide systems. The measurement of the magnetic susceptibility was performed by means of a SQUID magnetometer in the temperature range between 1.7,K and 300,K under consideration of an optimized calibration …