Encapsulation of Methane Molecules into C60 Fullerene Nanocage: DFT and DTFB-MD Simulations
Subject Areas : Journal of Nanoanalysis
Masoud Darvish Ganji
1
,
Fahimeh Bonyasi
2
,
Sepideh Tanreh
3
,
Mahyar Rezvani
4
,
Malak Hekmati
5
1 - Department of Nanochemistry, Faculty of Pharmaceutical Chemistry, Pharmaceutical Sciences Branch, Islamic Azad University, (IAUPS), Tehran, Iran
2 - Department of Nanochemistry, Faculty of Pharmaceutical Chemistry, Pharmaceutical Sciences Branch, Islamic Azad University, (IAUPS), Tehran, Iran
3 - Department of Nanochemistry, Faculty of Pharmaceutical Chemistry, Pharmaceutical Sciences Branch, Islamic Azad University, (IAUPS), Tehran, Iran
4 - Department of chemistry, faculty of science, Arak branch, Islamic Azad University, Arak, Iran
5 - Department of Nanochemistry, Faculty of Pharmaceutical Chemistry, Pharmaceutical Sciences Branch, Islamic Azad University, (IAUPS), Tehran, Iran
Keywords:
Abstract :
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