Theoretical study on mechanisms of structural rearrangement and ionic dissociation in the HCl(H2O)4 cluster with path-integral molecular dynamics simulations

Autor: Sugawara, Shuichi, Yoshikawa, Takehiro, Takayanagi, Toshiyuki, Tachikawa, Masanori
Zdroj: In Chemical Physics Letters 7 January 2011 501(4-6):238-244
Databáze: ScienceDirect