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Filters: Format Medium: "application/pdf" Collection: "ir_uspace" Subject: "Molecular dynamics simulation"
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| Creator | Title | Description | Subject | Date | ||
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 | Smith, Grant D.; Borodin, Oleg; Bedrov, Dmitro | 13C NMR spin-lattice relaxation and conformational dynamics in a 1,4-polybutadiene melt | We have performed molecular dynamics (MD) simulations of a melt of 1,4-polybutadiene (PBD, 1622 Da) over the temperature range 400?273 K. 13C NMR spin?lattice relaxation times (T1) and nuclear Overhauser enhancement (NOE) values have been measured from 357 to 272 K for 12 different resonances. The T... | Polybutadiene melt; 13C NMR; Spin-lattice relaxation; Conformational dynamics; Molecular dynamics simulation | 2001 |
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