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A molecular-dynamics simulation study of solvent-induced repulsion between C[sub 60] fullerenes in water

โœ Scribed by Li, Liwei; Bedrov, Dmitry; Smith, Grant D.


Book ID
115505585
Publisher
American Institute of Physics
Year
2005
Tongue
English
Weight
532 KB
Volume
123
Category
Article
ISSN
0021-9606

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Previous simulations of aqueous solutions of immobilized pairs of simple hydrophilic or hydrophobic model solutes have been extended to consider a mixed hydrophobic-hydrophilic pair. Results show that the replacement of a hydrophilic group with a hydrophobic group can induce relevant changes in the