Erratum to A DFT study of vibrational frequencies and 13C NMR chemical shifts of model cellulosic fragments as a function of size (Cellulose, (2014), 21, (53-70), 10.1007/s10570-013-0128-8);A DFT study of vibrational frequencies and 13C NMR chemical shifts of model cellulosic fragments as a function of size

Cellulose

Volumn 21, Issue 1, 2014, Pages 53-70

  Watts, Heath D ^a   Mohamed, Mohamed Naseer Ali ^b   Kubicki, James D ^a  

^a PENNSYLVANIA STATE UNIVERSITY   (United States)

^b VIT UNIVERSITY   (India)

Author keywords

Cellulose; Cellulose structure; Density functional theory (DFT); Hydrogen bonding; Infrared spectroscopy; Natural bond order analysis (NBO); Nuclear magnetic resonance spectroscopy (NMR); Thermodynamics; Vibrational modes; Vibrational spectroscopy

Indexed keywords

CELLULOSE; CHEMICAL SHIFT; HYDROGEN BONDS; INFRARED SPECTROSCOPY; MOLECULAR ORBITALS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; OLIGOMERS; THERMODYNAMICS; VIBRATIONAL SPECTROSCOPY; VIBRATIONS (MECHANICAL);

CELLULOSE OLIGOMERS; CELLULOSE STRUCTURES; CRYSTALLOGRAPHIC STRUCTURE; NATURAL BOND ORDERS; ORBITAL DENSITIES; PERIODIC MODELS; TORSION ANGLE; VIBRATIONAL MODES;

DENSITY FUNCTIONAL THEORY;

EID: 84893669274     PISSN: 09690239     EISSN: None     Source Type: Journal    
DOI: 10.1007/s10570-014-0198-2     Document Type: Erratum

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