supported by Center for High Performance Computing,Shanghai Jiao Tong University;the National Basic Research Program(2012CB821500,2013CB834506);the China National Funds for Distinguished Young Scholar(21225420);the National Natural Science Foundation of China(21404070,21474062,91127047);the "Shu Guang" project supported by Shanghai Municipal Education Commission;Shanghai Education Development Foundation(13SG14)
In this work,all-atom molecular dynamics simulations were employed to study the influence of the side alkyl chain on glass transition behavior of several carbazole trimers(CT) in a temperature range from 423 to 183 K....