Publikasi terbaru dari staf Departemen Kimia FMIPA UGM :
Chemical Physics Letters, April 2016, doi:10.1016/j.cplett.2016.04.010
Revisiting Structure And Dynamics of Ag+ in 18.6 % Aqueous Ammonia : An Ab Initio Quantum Mechanical Charge Field Simulation
Niko Prasetyo dan Ria Armunanto
Highlights
• Very first application of QMCF-MD to investigate Ag+ ion in aqueous ammonia.
• First solvation shell is labile compared to result from previous QM/MM-MD study.
• [Ag(NH3)2(H2O)3]+ dominate during simulation time.