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Tao Jin, Xiaoyu Li and Haiqing Sun Interaction mechanisms between poly(amido-amine) and nano-silicon dioxide International Journal of Quantum Chemistry 113

Article first published online: 5 JUL 2012 | DOI: 10.1002/qua.24260

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Poly(amidoamine) (PAMAM) dendrimers have recently been used to modify nano-silicon dioxide by grafting methods. First principle calculations are applied to the study of the interaction of simple NH2-terminated dendrimers with nano-SiO2. Spatial hindrance, electrostatic induction force, and hydrogen-bond interaction are all found to play important roles in the complexation process.

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