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ChemInform Abstract: B2N2O4: Prediction of a Magnetic Ground State for a Light Main-Group Molecule.

Authors :
Varga, Zoltan
Truhlar, Donald G.
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]

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