Adsorption of β-d-glucose and cellobiose on kaolinite surfaces: Density functional theory (DFT) approach

Applied Clay Science

Volumn 71, Issue , 2013, Pages 73-81

  Lee, Seung Geol ^a   Choi, Ji Il ^a   Koh, Wonsang ^b   Jang, Seung Soon ^a  

^a Georgia Institute of Technology   (United States)

^b GEORGIA INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

d glucose; Adsorption; Cellobiose; Density functional theory; Hydrogen bond; Kaolinite

Indexed keywords

CELLOBIOSE; CHARGE REDISTRIBUTION; D-GLUCOSE; DENSITY FUNCTIONAL THEORIES (DFT); DENSITY FUNCTIONAL THEORY CALCULATIONS; HYDROGEN-BOND FORMATION; MOLECULAR ADSORPTION; MULLIKEN POPULATION ANALYSIS;

ADSORPTION; DENSITY FUNCTIONAL THEORY; FUNCTIONAL GROUPS; HYDROGEN BONDS; HYDROXYLATION; MOLECULAR ORIENTATION;

KAOLINITE;

ADSORPTION; EXPERIMENTAL MINERALOGY; EXPERIMENTAL STUDY; GLUCOSE; HYDROGEN; HYDROXYL RADICAL; KAOLINITE;

EID: 84870846803     PISSN: 01691317     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.clay.2012.11.002     Document Type: Article

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