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ChemInform Abstract: B2N2O4: Prediction of a Magnetic Ground State for a Light Main-Group Molecule.
- Source :
-
ChemInform . Nov2015, Vol. 46 Issue 45, pno-no. 1p. - Publication Year :
- 2015
-
Abstract
- DFT and coupled-cluster calculations show that the B2N2O4 molecule has a triplet ground state and therefore is paramagnetic. [ABSTRACT FROM AUTHOR]
- Subjects :
- *BORON compounds
*GROUND state (Quantum mechanics)
*PARAMAGNETIC materials
Subjects
Details
- Language :
- English
- ISSN :
- 09317597
- Volume :
- 46
- Issue :
- 45
- Database :
- Academic Search Index
- Journal :
- ChemInform
- Publication Type :
- Academic Journal
- Accession number :
- 110464596
- Full Text :
- https://doi.org/10.1002/chin.201545001