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Pressure Induced Topochemical Polymerizationof Solid Acryalmide Facilitated by Anisotropic Response of Hydrogen Bond Network
<p>The pressure induced polymerization of molecular</p> <p>solids is an appealing route to obtain pure,</p> <p>crystalline polymers without the need for radical</p> <p>initiators. Here, we report a detailed density</p> <p>functional theory (DFT) based study of the</p> <p>structural and chemical changes that occur in</p> <p>defect free solid acrylamide, a hydrogen bonded</p> <p>crystal, when it is subjected to hydrostatic pressures.</p> <p>Our calculations predict a polymerization</p>doi:10.26434/chemrxiv.12519881.v1 fatcat:tf3ivt7ub5crxptgyf3kpovsoy