Sum-frequency-generation vibration spectroscopy and density functional theory calculations with dispersion corrections (DFT-D2) for cellulose Iα and Iβ

Journal of Physical Chemistry B

Volumn 117, Issue 22, 2013, Pages 6681-6692

  Lee, Christopher M ^a   Mohamed, Naseer M A ^b   Watts, Heath D ^b   Kubicki, James D ^b   Kim, Seong H ^a,c  

^a The Pennsylvania State University   (United States)

^b PENNSYLVANIA STATE UNIVERSITY   (United States)

^c NONE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CELLULOSE; CRYSTALS; DISPERSIONS; HYDROGEN BONDS; INTERFEROMETRY; LIGNIN;

CRYSTALLINE CELLULOSE; DISPERSION CORRECTION; HYDROGEN BOND NETWORKS; NON-CENTROSYMMETRIC; SUM FREQUENCY GENERATION; VIBRATION FREQUENCY; VIBRATION SPECTROSCOPY; VIBRATIONAL MODES;

DENSITY FUNCTIONAL THEORY;

EID: 84879164752     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp402998s     Document Type: Article

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