Hydrogen-Bonding Network and OH Stretch Vibration of Cellulose: Comparison of Computational Modeling with Polarized IR and SFG Spectra

Journal of Physical Chemistry B

Volumn 119, Issue 49, 2015, Pages 15138-15149

  Lee, Christopher M ^a,e   Kubicki, James D ^b,e   Fan, Bingxin ^a,e   Zhong, Linghao ^c,e   Jarvis, Michael C ^d   Kim, Seong H ^a,e  

^a The Pennsylvania State University   (United States)

^b UNIVERSITY OF TEXAS AT EL PASO   (United States)

^c PENNSYLVANIA STATE UNIVERSITY   (United States)

^d UNIVERSITY OF GLASGOW   (United Kingdom)

^e PENNSYLVANIA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; CELLULOSE; CELLULOSE DERIVATIVES; CHEMICAL BONDS; COMPUTATION THEORY; CRYSTAL ATOMIC STRUCTURE; CRYSTAL STRUCTURE; DENSITY FUNCTIONAL THEORY; LATTICE THEORY; MOLECULAR DYNAMICS;

CELLULOSE MICROFIBRILS; DIRECTIONAL INTERACTIONS; DISPERSION CORRECTION; HYDROGEN BONDING NETWORK; INTERCHAIN HYDROGEN BONDS; MOLECULAR DYNAMICS SIMULATIONS; O-H STRETCH VIBRATIONS; STRUCTURAL INFORMATION;

HYDROGEN BONDS;

CELLULOSE; CRYSTAL STRUCTURE; HYDROGEN BONDS; NETWORKS; VIBRATION;

CELLULOSE;

CHEMISTRY; COMPARATIVE STUDY; HYDROGEN BOND; INFRARED SPECTROSCOPY;

CELLULOSE; HYDROGEN BONDING; SPECTROSCOPY, FOURIER TRANSFORM INFRARED;

EID: 84949483934     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/acs.jpcb.5b08015     Document Type: Article

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