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Ab initio study of the molecules BC and B2C

✍ Scribed by Martin, Jan M. L.; Taylor, Peter R.


Book ID
120492306
Publisher
American Institute of Physics
Year
1994
Tongue
English
Weight
751 KB
Volume
100
Category
Article
ISSN
0021-9606

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Several structures and electronic states of the C2N and CN2 molecules have been studied using complete active space SCF (CASSCF), multireference configuration interaction (MRCI ), and coupled cluster (CCSD( T) ) methods. Both molecules are very stable. Our best computed total atomization energies 10

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