Mechanisms and energetics for acid catalyzed β-D-glucose conversion to 5-hydroxymethylfurfurl

Journal of Physical Chemistry A

Volumn 115, Issue 42, 2011, Pages 11740-11748

  Qian, Xianghong ^a  

^a 3202 Bell Engineering Center   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO MOLECULAR DYNAMICS; BIOMASS CONVERSION; D-GLUCOSE; EXPERIMENTAL OBSERVATION; GLUCOSE CONVERSION; METADYNAMICS; RATE-LIMITING STEPS; REACTION BARRIERS;

BIOCONVERSION; CATALYSIS; FRUCTOSE; MOLECULAR DYNAMICS; REACTION KINETICS;

GLUCOSE;

2,5 DIMETHYLFURAN; 2,5-DIMETHYLFURAN; 5 HYDROXYMETHYLFURFURAL; 5-HYDROXYMETHYLFURFURAL; ACID; BIOFUEL; DRUG DERIVATIVE; FURAN DERIVATIVE; FURFURAL; GLUCOSE; PROTON; SOLVENT; WATER;

ARTICLE; CATALYSIS; CHEMISTRY; MOLECULAR DYNAMICS; ORGANIC CHEMISTRY; SYNTHESIS; THERMODYNAMICS;

ACIDS; BIOFUELS; CATALYSIS; CHEMISTRY, ORGANIC; FURALDEHYDE; FURANS; GLUCOSE; MOLECULAR DYNAMICS SIMULATION; PROTONS; SOLVENTS; THERMODYNAMICS; WATER;

EID: 80054943091     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp2041982     Document Type: Article

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