Molecular simulations of adsorption of RDX and TATP on IRMOF-1(Be).

Scott AM, Petrova T, Odbadrakh K, Nicholson DM, Fuentes-Cabrera M, Lewis JP, Hill FC, Leszczynski J. Molecular simulations of adsorption of RDX and TATP on IRMOF-1(Be). J Mol Model. 2012 Jul; 18(7):3363-78.

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subject areas

Adsorption
Explosive Agents
Heterocyclic Compounds, 1-Ring
Hydrogen Bonding
Molecular Dynamics Simulation
Peroxides
Static Electricity
Triazines

authors with profiles

Jerzy Leszczynski

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