Lithium dope reaction analysis to carbon which uses molecular orbital calculation


The lithium dope process to carbon
It is a result of analyzing the lithium dope reaction to the carbon statically by doing the molecular orbital study.
The energy of process was calculated using MOPAC(semiempirical molecular orbital method) which was very famous program. In addition, we examine the actual reaction by molecular dynamic analysis and it is one of the use of material development support methods.