Obtaining the magnetic susceptibility of the heme complex from DFT calculations
Magnetic field interactions with particles, as observed in magnetophoresis, are becoming important tool to understand the nature of the iron role in heme molecular complex, besides other useful applications. Accurate estimations of some macroscopic magnetic properties from quantum mechanical calcula...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
AIP Publishing LLC
2016-09-01
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| Series: | AIP Advances |
| Online Access: | http://dx.doi.org/10.1063/1.4962663 |