Author/Authors :
Ge، نويسنده , , Maofa and Feng، نويسنده , , Jikang and Huang، نويسنده , , Xuri and Yang، نويسنده , , Cheng and Sun، نويسنده , , Chiachung، نويسنده ,
Abstract :
Quantum chemical ab initio method is used to study the geometric and electronic structures of the Mo2C8 cluster. A number of possible isomeric structures are examined. The most stable structure is found to posses C2h symmetry, where two Mo atoms connect directly each other and each Mo atom connects to four carbon atoms, and this structure can explain the existing experimental results.
