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Autor:
David J. Keffer, Ruichang Xiong, A. Michalkova, Khorgolkhuu Odbadrakh, Jerzy Leszczynski, Don M. Nicholson, Tetyana Petrova, Miguel Fuentes-Cabrera, James P. Lewis, Johnathan P. Luna
Publikováno v:
Sensors and Actuators B: Chemical. 148:459-468
Classical molecular dynamics (MD) and Grand Canonical Monte Carlo (GCMC) simulations were used to generate self-diffusivities, adsorption isotherms and density distributions for hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) in five isoreticular metal