Structure of the porphyrazine monolayer at the air–water interface: Computer simulation*
نویسندگان
چکیده
Molecular dynamics simulations of porphyrazine monolayers at the air–water interface have been carried out. All possible molecular orientations found by analysis of the π-A isotherms are reproduced by computer simulations. The existence of “guest-water” molecules has been observed in the simulation; this confirms the assumptions of experimentalists concerning this phenomenon.
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