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Pyrolysis of wheat straw-derived organosolv lignin
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January 2012 |
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Water diffusion in zeolite membranes: Molecular dynamics studies on effects of water loading and thermostat
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December 2015 |
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Insights into Sorption and Molecular Transport of Aqueous Glucose into Zeolite Nanopores
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February 2022 |
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Chemical intervention in bacterial lignin degradation pathways: Development of selective inhibitors for intradiol and extradiol catechol dioxygenases
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June 2015 |
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Lignin valorization through integrated biological funneling and chemical catalysis
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August 2014 |
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The relation between lignin sequence and its 3D structure
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May 2020 |
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Hydrolytic depolymerization of hydrolysis lignin: Effects of catalysts and solvents
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August 2015 |
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Density Functional Theory with Implicit Solvents for Accurate Estimation of Aqueous and Organic Solvation Free Energies of Lignin Fragments
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August 2022 |
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Ex-situ catalytic co-pyrolysis of lignin and polypropylene to upgrade bio-oil quality by microwave heating
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October 2017 |
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Effect of water models on structure and dynamics of lignin in solution
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June 2021 |
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Dynamics of the lignin glass transition
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January 2018 |
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Bright Side of Lignin Depolymerization: Toward New Platform Chemicals
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January 2018 |
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Guaiacol Hydrodeoxygenation Mechanism on Pt(111): Insights from Density Functional Theory and Linear Free Energy Relations
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December 2014 |
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Application of the TraPPE Force Field for Predicting the Hildebrand Solubility Parameters of Organic Solvents and Monomer Units
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November 2007 |
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Coupling of Flavonoid Initiation Sites with Monolignols Studied by Density Functional Theory
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January 2021 |
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Kraft Lignin Ethanolysis over Zeolites with Different Acidity and Pore Structures for Aromatics Production
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February 2021 |
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Biodegradation of kraft lignin by newly isolated Klebsiella pneumoniae, Pseudomonas putida, and Ochrobactrum tritici strains
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March 2018 |
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Settle: An analytical version of the SHAKE and RATTLE algorithm for rigid water models
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October 1992 |
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Kinetic understanding of the effect of Na and Mg on pyrolytic behavior of lignin using a distributed activation energy model and density functional theory modeling
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January 2019 |
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Acid-catalyzed hydrolysis of lignin β-O-4 linkages in ionic liquid solvents: a computational mechanistic study
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January 2014 |
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Molecular dynamics simulation of water purification using zeolite MFI nanosheets
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March 2020 |
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A Leap-frog Algorithm for Stochastic Dynamics
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March 1988 |
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A Multitechnique Characterization of Lignin Softening and Pyrolysis
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July 2017 |
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Accurate Thermochemistry of Complex Lignin Structures via Density Functional Theory, Group Additivity, and Machine Learning
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February 2021 |
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Aromatic Monomers by in Situ Conversion of Reactive Intermediates in the Acid-Catalyzed Depolymerization of Lignin
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June 2015 |
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Canonical sampling through velocity rescaling
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January 2007 |
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Assessing the molecular structure basis for biomass recalcitrance during dilute acid and hydrothermal pretreatments
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January 2013 |
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Systematic parameterization of lignin for the CHARMM force field
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January 2019 |
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GROMACS: Fast, flexible, and free
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January 2005 |
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LINCS: A linear constraint solver for molecular simulations
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September 1997 |
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Lignin fast pyrolysis: Results from an international collaboration
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May 2010 |
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Force Field and a Surface Model Database for Silica to Simulate Interfacial Properties in Atomic Resolution
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April 2014 |
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Hydrogen bonding preference of equatorial versus axial hydroxyl groups in pyran and cyclohexane rings in organic crystals
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January 2005 |
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P-LINCS: A Parallel Linear Constraint Solver for Molecular Simulation
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December 2007 |
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CHARMM general force field: A force field for drug-like molecules compatible with the CHARMM all-atom additive biological force fields
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January 2009 |
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Lignin Valorization: Improving Lignin Processing in the Biorefinery
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May 2014 |
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Pressure Dependence of the Hildebrand Solubility Parameter and the Internal Pressure: Monte Carlo Simulations for External Pressures up to 300 MPa †
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November 2007 |
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Wet Explosion: a Universal and Efficient Pretreatment Process for Lignocellulosic Biorefineries
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February 2015 |
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Zeolite‐Assisted Lignin‐First Fractionation of Lignocellulose: Overcoming Lignin Recondensation through Shape‐Selective Catalysis
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June 2020 |
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Production of hydrocarbon-rich bio-oil from soapstock via fast microwave-assisted catalytic pyrolysis
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May 2017 |
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Identification of DypB from Rhodococcus jostii RHA1 as a Lignin Peroxidase
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June 2011 |
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Effect of Solvent Quality on Structure and Dynamics of Lignin in Solution
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August 2022 |
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Ueber die Anwendung des Satzes vom Virial in der kinetischen Theorie der Gase
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January 1881 |
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A smooth particle mesh Ewald method
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November 1995 |
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High permeability and salt rejection reverse osmosis by a zeolite nano-membrane
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January 2013 |
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From gene to biorefinery: microbial β-etherases as promising biocatalysts for lignin valorization
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September 2015 |
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Valorization of lignin in polymer and composite systems for advanced engineering applications – A review
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June 2019 |
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iRASPA: GPU-accelerated visualization software for materials scientists
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January 2018 |
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Lignin depolymerization (LDP) in alcohol over nickel-based catalysts via a fragmentation–hydrogenolysis process
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January 2013 |
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Molecular dynamics with coupling to an external bath
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October 1984 |
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Lignin utilization: A review of lignin depolymerization from various aspects
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June 2019 |
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Theoretical insight into the hydrogenolysis mechanism of lignin dimer compounds based on experiments
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January 2021 |
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VMD: Visual molecular dynamics
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February 1996 |
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Conformations of Low-Molecular-Weight Lignin Polymers in Water
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January 2016 |
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Improved lignin pyrolysis for phenolics production in a bubbling bed reactor – Effect of bed materials
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August 2015 |
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Solvation effect on binding modes of model lignin dimer compounds on MWW 2D-zeolite
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September 2019 |
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One step thermal conversion of lignin to the gasoline range liquid products by using zeolites as additives
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January 2012 |
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Adsorption of Lignin β-O-4 Dimers on Metal Surfaces in Vacuum and Solvated Environments
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December 2018 |
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Particle mesh Ewald: An N ⋅log( N ) method for Ewald sums in large systems
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June 1993 |
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Molecular Lignin Solubility and Structure in Organic Solvents
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November 2020 |
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Catalytic cracking of lignin model compounds and degraded lignin dissolved in inert solvent over mixed catalyst of iron oxide and MFI zeolite for phenol recovery
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January 2020 |
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Automated Transformation of Lignin Topologies into Atomic Structures with LigninBuilder
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December 2018 |
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Solvent effect on HZSM-5 catalyzed solvolytic depolymerization of industrial waste lignin to phenols: superiority of the water–methanol system over methanol
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October 2014 |
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Towards lignin consolidated bioprocessing: simultaneous lignin depolymerization and product generation by bacteria
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January 2015 |
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Comparison of simple potential functions for simulating liquid water
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July 1983 |
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Lignin valorization: Status, challenges and opportunities
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March 2022 |
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Ionic liquid [OMIm][OAc] directly inducing oxidation cleavage of the β-O-4 bond of lignin model compounds
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January 2017 |
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Molecular Insights into Gelation of Di-Fmoc- l -Lysine in Organic Solvent–Water Mixtures
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May 2017 |
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From lignin to valuable products–strategies, challenges, and prospects
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January 2019 |
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PACKMOL: A package for building initial configurations for molecular dynamics simulations
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October 2009 |
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5–5 Lignin Linkage Cleavage over Ru: A Density Functional Theory Study
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November 2021 |