Anisotropy of the elastic properties of crystalline cellulose Iß from first principles density functional theory with Van der Waals interactions

作者: Fernando L. Dri , Louis G. Hector , Robert J. Moon , Pablo D. Zavattieri

DOI: 10.1007/S10570-013-0071-8

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摘要: … C and O ions that form the cellulose chain (shown as the ball and stick … 2b) provide additional reinforcement to keep the cellulose chains … Upon comparing our DFT-computed results with …

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