Automatic reaction network generation using RMG for steam cracking of n-hexane
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journal
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January 2006 |
Universal Brønsted-Evans-Polanyi Relations for C–C, C–O, C–N, N–O, N–N, and O–O Dissociation Reactions
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journal
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November 2010 |
Spatially Explicit Static Model for the Strategic Design of Future Bioethanol Production Systems. 1. Cost Minimization
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journal
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October 2009 |
Group Additive Values for the Gas Phase Standard Enthalpy of Formation of Hydrocarbons and Hydrocarbon Radicals
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journal
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August 2005 |
Synthesis of Transportation Fuels from Biomass: Chemistry, Catalysts, and Engineering
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journal
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September 2006 |
Process systems engineering: From Solvay to modern bio- and nanotechnology.
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October 2011 |
Technology development for the production of biobased products from biorefinery carbohydrates—the US Department of Energy’s “Top 10” revisited
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January 2010 |
Prediction of Solubility of Drugs and Other Compounds in Organic Solvents
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journal
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March 2010 |
Prediction of the Thermodynamic Properties of Key Products and Intermediates from Biomass
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July 2011 |
Language-oriented rule-based reaction network generation and analysis: Description of RING
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October 2012 |
Language-oriented rule-based reaction network generation and analysis: Applications of RING
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November 2012 |
Modeling Ethanol Decomposition on Transition Metals: A Combined Application of Scaling and Brønsted−Evans−Polanyi Relations
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April 2009 |
Microbial production of building block chemicals and polymers
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December 2011 |
Production of High-Quality Diesel from Biomass Waste Products
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January 2011 |
Integration of C–C coupling reactions of biomass-derived oxygenates to fuel-grade compounds
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journal
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February 2010 |
Biodiversity and ecosystem stability in a decade-long grassland experiment
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journal
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June 2006 |
Catalytic Production of Liquid Fuels from Biomass‐Derived Oxygenated Hydrocarbons: Catalytic Coupling at Multiple Length Scales
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journal
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September 2009 |
Cycloaddition of Biomass-Derived Furans for Catalytic Production of Renewable p -Xylene
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journal
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April 2012 |
Techno-economic analysis of dimethylfuran (DMF) and hydroxymethylfurfural (HMF) production from pure fructose in catalytic processes
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journal
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May 2011 |
Reaction network flux analysis: Optimization-based evaluation of reaction pathways for biorenewables processing
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journal
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August 2011 |
Conversion of biomass to sugars via ionic liquid hydrolysis: process synthesis and economic evaluation
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journal
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May 2012 |
A spatially explicit whole-system model of the lignocellulosic bioethanol supply chain: an assessment of decentralised processing potential
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journal
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January 2008 |
Unraveling Reaction Pathways and Specifying Reaction Kinetics for Complex Systems
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journal
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July 2012 |
Biofuel production in Escherichia coli: the role of metabolic engineering and synthetic biology
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journal
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February 2010 |
Spatially explicit multi-objective optimisation for design and planning of hybrid first and second generation biorefineries
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September 2011 |
MML: towards a Multiscale Modeling Language
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May 2010 |
Computational discovery of biochemical routes to specialty chemicals
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November 2004 |
Graph Theory for Rule-Based Modeling of Biochemical Networks
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book
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January 2006 |
Designing Novel Polymers with Targeted Properties Using the Signature Molecular Descriptor
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journal
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March 2006 |
The dehydration of alcohols on alumina XIV. Reactivity and mechanism
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journal
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January 1972 |
Development of Detailed Kinetic Models for the Thermal Conversion of Biomass via First Principle Methods and Rate Estimation Rules
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book
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December 2010 |
Continuous production of 5-hydroxymethylfurfural from fructose: a design case study
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journal
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January 2010 |
Lexicography of kinetic modeling of complex reaction networks
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journal
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January 2005 |
Tree genetic engineering and applications to sustainable forestry and biomass production
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journal
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January 2011 |
Catalytic Conversion of Renewable Biomass Resources to Fuels and Chemicals
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journal
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June 2010 |
Prediction of Physicochemical Parameters by Atomic Contributions
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journal
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August 1999 |
Hybrid and single feedstock energy processes for liquid transportation fuels: A critical review
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journal
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June 2012 |
Process and technoeconomic analysis of leading pretreatment technologies for lignocellulosic ethanol production using switchgrass
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journal
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December 2011 |
Thermochemistry of Radicals and Molecules Relevant to Atmospheric Chemistry: Determination of Group Additivity Values using G3//B3LYP Theory
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journal
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April 2009 |
Expanding the chemical palate of cells by combining systems biology and metabolic engineering
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journal
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July 2012 |
Economic Optimization of a Lignocellulosic Biomass-to-Ethanol Supply Chain
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journal
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January 2012 |
Method for selection of solvents for promotion of organic reactions
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journal
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June 2005 |
Process synthesis and optimization of biorefinery configurations
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journal
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June 2011 |
Phase Modifiers Promote Efficient Production of Hydroxymethylfurfural from Fructose
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journal
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June 2006 |
Biorefinery Location and Technology Selection Through Supply Chain Optimization
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journal
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October 2012 |
An Efficient Reaction Pathway Search Method Applied to the Decomposition of Glycerol on Platinum
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journal
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September 2011 |
Application of Chemical Graph Theory for Automated Mechanism Generation
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journal
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December 2002 |
Optimal design of sustainable cellulosic biofuel supply chains: Multiobjective optimization coupled with life cycle assessment and input-output analysis
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journal
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April 2011 |
The Dehydration of Fructose Towards 5-Hydroxymethylfurfural Using Activated Carbon as Adsorbent
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journal
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January 1992 |
Adsorption of Acid, Ester, and Ether Functional Groups on Pt: Fast Prediction of Thermochemical Properties of Adsorbed Oxygenates via DFT-Based Group Additivity Methods
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journal
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January 2012 |
Silver: An extensible attribute grammar system
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journal
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January 2010 |
Production of liquid hydrocarbon fuels by catalytic conversion of biomass-derived levulinic acid
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journal
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January 2011 |
Distributed processing of biomass to bio-oil for subsequent production of Fischer-Tropsch liquids
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journal
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January 2008 |
Microbial engineering for the production of advanced biofuels
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journal
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August 2012 |
Production of furfural and carboxylic acids from waste aqueous hemicellulose solutions from the pulp and paper and cellulosic ethanol industries
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journal
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January 2011 |
Meeting US biofuel goals with less land: the potential of Miscanthus
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journal
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September 2008 |
Biobased Chemicals from Conception toward Industrial Reality: Lessons Learned and To Be Learned
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journal
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June 2012 |
Molecular engineering approach in the selection of catalytic strategies for upgrading of biofuels
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journal
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May 2009 |
Microbial Biosynthesis of Alkanes
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journal
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July 2010 |
Reactivity Theory of Transition-Metal Surfaces: A Brønsted−Evans−Polanyi Linear Activation Energy−Free-Energy Analysis
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journal
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December 2009 |
Optimization of Energy and Water Consumption in Corn-Based Ethanol Plants
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journal
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September 2010 |
Estimation of the Thermodynamic Properties of C‐H‐N‐O‐S‐Halogen Compounds at 298.15 K
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journal
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July 1993 |
Non-fermentative pathways for synthesis of branched-chain higher alcohols as biofuels
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journal
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January 2008 |
Classification and analysis of integrating frameworks in multiscale modelling
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journal
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June 2004 |
The influence of pH and weak-acid anions on the dehydration of d-fructose
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journal
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April 1977 |
Using scaling relations to understand trends in the catalytic activity of transition metals
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journal
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January 2008 |
Towards an integrated design of biofuels and their production pathways
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journal
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December 2010 |
Rule-Based Generation of Thermochemical Routes to Biomass Conversion
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journal
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November 2010 |
Conceptual process design: A systematic method to evaluate and develop renewable energy technologies
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journal
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July 2011 |
Chemical Routes for the Transformation of Biomass into Chemicals
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journal
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June 2007 |
Energy optimization for the design of corn-based ethanol plants
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journal
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January 2008 |
Catalytic conversion of lignocellulosic biomass to fuels: Process development and technoeconomic evaluation
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journal
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January 2012 |
Kinetic Modeling of Pt Catalyzed and Computation-Driven Catalyst Discovery for Ethylene Glycol Decomposition
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journal
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August 2011 |
Estimation of Molecular Linear Free Energy Relation Descriptors Using a Group Contribution Approach
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journal
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July 1999 |
Techno-economic comparison of process technologies for biochemical ethanol production from corn stover
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journal
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November 2010 |
Optimal biorefinery product allocation by combining process and economic modeling
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journal
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July 2008 |
Computer Generated Pyrolysis Modeling: On-the-Fly Generation of Species, Reactions, and Rates
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journal
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April 1994 |
Selective Hydrogenolysis of Polyols and Cyclic Ethers over Bifunctional Surface Sites on Rhodium–Rhenium Catalysts
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journal
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August 2011 |
On the use of systems technologies and a systematic approach for the synthesis and the design of future biorefineries
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journal
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September 2010 |
Computer based generation of reaction mechanisms for gas-phase oxidation
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journal
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July 2000 |
An NSF perspective on next generation hydrocarbon biorefineries
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journal
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September 2010 |
A mechanism-oriented lumping strategy for heavy hydrocarbon pyrolysis: imposition of quantitative structure-reactivity relationships for pure components
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journal
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July 1993 |
Tin-containing zeolites are highly active catalysts for the isomerization of glucose in water
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journal
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March 2010 |
Biomass to chemicals: Design of an extractive-reaction process for the production of 5-hydroxymethylfurfural
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journal
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July 2012 |
Microbial production of diols as platform chemicals: Recent progresses
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journal
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December 2011 |
Design of alternative refrigerants via global optimization
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journal
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July 2003 |
The Biology and Agronomy of Switchgrass for Biofuels
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journal
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September 2005 |