Quantum mechanical calculations on cellulose–water interactions: structures, energetics, vibrational frequencies and NMR chemical shifts for surfaces of Iα and Iβ cellulose

Kubicki, James D.; Watts, Heath D.; Zhao, Zhen; Zhong, Linghao

doi:10.1007/s10570-013-0029-x

Quantum mechanical calculations on cellulose–water interactions: structures, energetics, vibrational frequencies and NMR chemical shifts for surfaces of Iα and Iβ cellulose

Journal Article · Fri Aug 23 00:00:00 EDT 2013 · Cellulose

DOI:https://doi.org/10.1007/s10570-013-0029-x· OSTI ID:1383726

Kubicki, James D.; Watts, Heath D.; Zhao, Zhen; Zhong, Linghao

Research Organization:: Energy Frontier Research Centers (EFRC) (United States). Center for Lignocellulose Structure and Formation (CLSF)

Sponsoring Organization:: USDOE SC Office of Basic Energy Sciences (SC-22)

DOE Contract Number:: SC0001090

OSTI ID:: 1383726

Journal Information:: Cellulose, Journal Name: Cellulose Journal Issue: 2 Vol. 21; ISSN 0969-0239

Publisher:: Springer

Country of Publication:: United States

Language:: English

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