Abstract
Ferromagnetic spin coupling was revealed in Mn3+ by the measurements of the photodissociation cross section in the near-ir-uv region and through quantum-chemical analysis of the spectrum. Calculations based on the density-functional theory hybridized with the Hartree-Fock theory were used to reproduce the experimental spectrum and explain the electronic structure of the cluster ion.
Original language | English |
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Pages (from-to) | 2180-2185 |
Number of pages | 6 |
Journal | Journal of Chemical Physics |
Volume | 118 |
Issue number | 5 |
DOIs | |
Publication status | Published - Feb 1 2003 |
Externally published | Yes |
All Science Journal Classification (ASJC) codes
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry