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alpha/beta-selectivities (17) 17
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Energy & Fuels, ISSN 0887-0624, 08/2014, Volume 28, Issue 8, pp. 5229 - 5235
Studies on the pyrolysis mechanisms of lignin model compounds have largely focused on initial homolytic cleavage reactions. It has been noted, however, that... 
BOND-DISSOCIATION ENTHALPIES | THERMAL-DEGRADATION | ENGINEERING, CHEMICAL | ENERGY & FUELS | PHENETHYL PHENYL ETHER | COMPOUND | LINKAGES | DEPOLYMERIZATION | CHEMISTRY | ALPHA/BETA-SELECTIVITIES | LOW-TEMPERATURE THERMOLYSIS | COMPUTATIONAL PREDICTION
Journal Article
Green Chemistry, ISSN 1463-9262, 03/2016, Volume 18, Issue 6, pp. 1762 - 1773
Although lignin is one of the main components of biomass, its pyrolysis chemistry is not well understood due to complex heterogeneity. To gain insights into... 
Linkages | Pyrolysis | Networks | Heterogeneity | Pathways | Mathematical models | Gain | Radicals
Journal Article
The Journal of Physical Chemistry Letters, ISSN 1948-7185, 10/2011, Volume 2, Issue 20, pp. 2660 - 2666
Journal Article
Chemical Physics Letters, ISSN 0009-2614, 10/2012, Volume 550, pp. 19 - 24
► Pyrolysis of phenethyl phenyl ether, a β-O-4 model compound for lignin. ► Kinetic Monte Carlo based on DFT rate and equilibrium constants. ► α/β-Product... 
BOND-DISSOCIATION ENTHALPIES | BIOFUELS | THERMOLYSIS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | COAL | CHEMISTRY, PHYSICAL | ALPHA/BETA-SELECTIVITIES | RADICALS | PYROLYSIS | DENSITY-FUNCTIONAL THEORY | COMPUTATIONAL PREDICTION
Journal Article
Energy & Fuels, ISSN 0887-0624, 08/2013, Volume 27, Issue 8, pp. 4785 - 4790
The initial steps in the thermal degradation of dibenzodioxocin, a relatively recently discovered seven-membered-ring linkage in lignin, have been evaluated... 
ENGINEERING, CHEMICAL | PYROLYTIC CLEAVAGE MECHANISMS | ENERGY & FUELS | PHENETHYL PHENYL ETHERS | LINKAGES | ALPHA/BETA-SELECTIVITIES | DIMERS | COMPUTATIONAL PREDICTION | Linkages | Enthalpy | Mathematical models | Fuels | Density | Bonding | Thermal degradation
Journal Article
CHEMPHYSCHEM, ISSN 1439-4235, 12/2011, Volume 12, Issue 18, pp. 3556 - 3565
The biopolymer lignin is a potential source of valuable chemicals. Phenethyl phenyl ether (PPE) is representative of the dominant beta-O-4 ether linkage. DFT... 
STABILIZATION ENERGIES | THERMOCHEMICAL KINETICS | bond energy | PHENETHYL PHENYL ETHERS | LOW-RANK COAL | AB-INITIO | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | thermodynamics | CHEMISTRY, PHYSICAL | phenyl ethers | O-H | NONCOVALENT INTERACTIONS | hydrogen bonds | DENSITY FUNCTIONALS | PYROLYTIC CLEAVAGE | density functional theory | ALPHA/BETA-SELECTIVITIES
Journal Article
Journal of Analytical and Applied Pyrolysis, ISSN 0165-2370, 03/2016, Volume 118, pp. 164 - 174
This study focused on providing a chemical understanding of the effect of pyrolysis temperature on the pyrolytic depolymerization of lignin polymers in... 
β-aryl ether | Pyrolysis temperature | Analytical pyrolysis | Pyrolytic cleavage | THERMOLYSIS | CHEMISTRY, ANALYTICAL | PHENETHYL PHENYL ETHERS | COMPOUND | LIGNIN MODEL COMPOUNDS | DIMERS | WOOD LIGNIN | SPECTROSCOPY | PRODUCTS | BIOMASS | beta-aryl ether | ALPHA/BETA-SELECTIVITIES | COMPUTATIONAL PREDICTION
Journal Article
Energy & Fuels, ISSN 0887-0624, 05/2010, Volume 24, Issue 5, pp. 2857 - 2867
We report reaction profiles and forward rate constants for hydrogen abstraction reactions occurring in the pyrolysis of methoxy-substituted derivatives of... 
Catalysis and Kinetics | DENSITY | ENGINEERING, CHEMICAL | ENERGY & FUELS | AB-INITIO | CHEMISTRY | ALPHA/BETA-SELECTIVITIES | HYDROXYL | LIGNIN MODEL COMPOUNDS | TRANSITION-STATE THEORY | COMPUTATIONAL PREDICTION | ATOM
Journal Article
The Journal of Organic Chemistry, ISSN 0022-3263, 08/2011, Volume 76, Issue 15, pp. 6014 - 6023
There has been expanding interest in exploring porous metal oxides as a confining environment for organic molecules resulting in altered chemical and physical... 
PORE CONFINEMENT | CATALYSIS | HYBRID MATERIALS | FREE-RADICAL REACTION | HYDROGEN-BOND | ISOMERIZATION | CHEMISTRY, ORGANIC | ALPHA/BETA-SELECTIVITIES | MODEL | COMPUTATIONAL PREDICTION | LIGNIN | Chemical bonds | Pyrolysis | Chemical properties | Structure | Silica | Analysis
Journal Article
Holzforschung, ISSN 0018-3830, 06/2010, Volume 64, Issue 4, pp. 435 - 440
Journal Article
Holzforschung, ISSN 0018-3830, 06/2010, Volume 64, Issue 4
Abstract Enthalpies of reaction for the initial steps in the pyrolysis of lignin have been evaluated at the CBS-4m level of theory using fully substituted... 
Journal Article
CHINESE JOURNAL OF ANALYTICAL CHEMISTRY, ISSN 0253-3820, 08/2018, Volume 46, Issue 8, pp. 1186 - 1192
An analytical method was proposed for determination of antituberculosis drug isoniazid at single. molecule level by protein nanopores equipped with a... 
CHEMISTRY, ANALYTICAL | TUBERCULOSIS | alpha-Hemolysin | IDENTIFICATION | Nanopore detection | MOLECULES | ELECTROOSMOSIS | ION SELECTIVITY | Cyclodextrin | ENGINEERED PROTEIN NANOPORE | PORE | BETA-CYCLODEXTRIN | DYNAMICS | Isoniazid
Journal Article
Chinese Journal of Organic Chemistry, ISSN 0253-2786, 2009, Volume 29, Issue 11, pp. 1719 - 1727
Journal Article
by Ma, CX and Liu, G and Zhu, WC and Wang, LX and Li, YF and Zhang, WX and Jia, MJ
CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE, ISSN 0251-0790, 12/2009, Volume 30, Issue 12, pp. 2429 - 2433
Mg-Al oxide catalysts were prepared by co-precipitation method, used ammonia as the precipitating agent. The catalytic performances of these materials were... 
Isophorone | ALPHA,BETA-UNSATURATED KETONES | Mg-Al oxide | CATALYST DEACTIVATION | HYDROTALCITES | OLIGOMERIZATION | SELECTIVITY | CHEMISTRY, MULTIDISCIPLINARY | Acetone | Aldol condensation
Journal Article
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