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>Calculations of lattice constants, energies of cohesion, and compressibilities of G@C_(60) (G= He, Ne, Ar ) molecular crystals
Calculations of lattice constants, energies of cohesion, and compressibilities of G@C_(60) (G= He, Ne, Ar ) molecular crystals
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SINCE the discovery and subsequent macroscopic synthesis of fullerenes,due to their unusualstructure and widely potential applications,many theoretical and experimental scientists havedone a lot of work on fullerenes.Fullerenes are the hollow cage molecules,the large,closedspheroidal shapes suggest that they could hold a variety of small guest atoms and/or
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机译:Exploring the proton Conductance and Drug Resistance of Bm2 Channel through molecular Dynamics simulations and Free Energy Calculations at Different pH Conditions