Title : ( MOLECULAR DYNAMIC SIMULATION STUDY ON THE SELECTIVE COMPLEXATION OF PORPHYRIN TRIMER WITH FULLERENES )
Authors: Mohammad Khavani Sariani , Mohammad Izadyar , Aliyeh Mehranfar , Mohammad Reza Housaindokht ,
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Abstract
The ability of porphyrin trimer (PT) for selective complex formation with C60 and C70 fullerenes have been investigated by using 20 ns molecular dynamic (MD) simulations. Obtained results indicate that PT is a good candidate as a receptor for fullerenes. Moreover, can makes more stable complex with C70 in comparison to C60, in water.
Keywords
, Porphyrin, Fullerene, Molecular dynamic simulation, Selective complex
@inproceedings{paperid:1058701,
author = {Khavani Sariani, Mohammad and Izadyar, Mohammad and Mehranfar, Aliyeh and Housaindokht, Mohammad Reza},
title = {MOLECULAR DYNAMIC SIMULATION STUDY ON THE SELECTIVE COMPLEXATION OF PORPHYRIN TRIMER WITH FULLERENES},
booktitle = {19th Iranian Physical Chemistry Conference},
year = {2016},
location = {Rasht, IRAN},
keywords = {Porphyrin; Fullerene; Molecular dynamic simulation; Selective complex},
}
%0 Conference Proceedings
%T MOLECULAR DYNAMIC SIMULATION STUDY ON THE SELECTIVE COMPLEXATION OF PORPHYRIN TRIMER WITH FULLERENES
%A Khavani Sariani, Mohammad
%A Izadyar, Mohammad
%A Mehranfar, Aliyeh
%A Housaindokht, Mohammad Reza
%J 19th Iranian Physical Chemistry Conference
%D 2016
