The Electronic Nature of the 1,4-β-Glycosidic Bond and Its Chemical Environment: DFT Insights into Cellulose Chemistry

Solvent-Free Catalytic Depolymerization of Cellulose to Water-Soluble Oligosaccharides

(2012) Niklas Meine et al.   ChemSusChem

Mechanocatalytic depolymerization of cellulose combined with hydrogenolysis as a highly efficient pathway to sugar alcohols

(2012) Jakob Hilgert et al.   Energy & Environmental Science

Mechanism of Brønsted acid-catalyzed conversion of carbohydrates

(2012) Gang Yang et al.   JOURNAL OF CATALYSIS

Reply to “Comment on 'Instantaneous Dissolution of Cellulose in Organic Electrolyte Solutions'”

(2012) Roberto Rinaldi   JOURNAL OF CHEMICAL AND ENGINEERING DATA

C2 Hydroxyl Group Governs the Difference in Hydrolysis Rates of Methyl-α-d-glycero-d-guloseptanoside and Methyl-β-d-glycero-d-guloseptanoside

(2012) Jeremy M. Beck et al.   JOURNAL OF ORGANIC CHEMISTRY

Ab Initio Dynamics of Cellulose Pyrolysis: Nascent Decomposition Pathways at 327 and 600 °C

(2012) Vishal Agarwal et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Conversion of cellulose into renewable chemicals by supported metal catalysis

(2011) Hirokazu Kobayashi et al.   APPLIED CATALYSIS A-GENERAL

DFTMD studies of β-cellobiose: conformational preference using implicit solvent

(2011) F.A. Momany et al.   CARBOHYDRATE RESEARCH

Rapidly calculated DFT relaxed iso-potential ϕ/ψ maps: β-cellobiose

(2011) U. Schnupf et al.   CELLULOSE

Local Site Selectivity and Conformational Structures in the Glycosidic Bond Scission of Cellobiose

(2011) Xiao Liang et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Molecular-Level Origins of Biomass Recalcitrance: Decrystallization Free Energies for Four Common Cellulose Polymorphs

(2011) Gregg T. Beckham et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Decrystallization of Oligosaccharides from the Cellulose Iβ Surface with Molecular Simulation

(2011) Christina M. Payne et al.   Journal of Physical Chemistry Letters

Endocyclic Cleavage in Glycosides with 2,3-transCyclic Protecting Groups

(2011) Hiroko Satoh et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Deconstruction of Lignocellulosic Biomass to Fuels and Chemicals

(2011) Shishir P.S. Chundawat et al.   Annual Review of Chemical and Biomolecular Engineering

Recent Advances in the Catalytic Conversion of Cellulose

(2010) Stijn Van de Vyver et al.   ChemCatChem

Instantaneous dissolution of cellulose in organic electrolyte solutions

(2010) Roberto Rinaldi   CHEMICAL COMMUNICATIONS

Which Controls the Depolymerization of Cellulose in Ionic Liquids: The Solid Acid Catalyst or Cellulose?

(2010) Roberto Rinaldi et al.   ChemSusChem

Mechanocatalysis for biomass-derived chemicals and fuels

(2010) Sandra M. Hick et al.   GREEN CHEMISTRY

QM/MM Studies on the β-Galactosidase Catalytic Mechanism: Hydrolysis and Transglycosylation Reactions

(2010) Natércia F. Brás et al.   Journal of Chemical Theory and Computation

Theoretical Investigation of Solvent Effects on Glycosylation Reactions: Stereoselectivity Controlled by Preferential Conformations of the Intermediate Oxacarbenium-Counterion Complex

(2010) Hiroko Satoh et al.   Journal of Chemical Theory and Computation

Free Energy Landscape for Glucose Condensation Reactions

(2010) Dajiang Liu et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Conformational Properties of Methyl β-Maltoside and Methyl α- and β-Cellobioside Disaccharides

(2010) Elizabeth Hatcher et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Fermentable sugars by chemical hydrolysis of biomass

(2010) J. B. Binder et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Acid Hydrolysis of Cellulose as the Entry Point into Biorefinery Schemes

(2009) Roberto Rinaldi et al.   ChemSusChem

Design of solid catalysts for the conversion of biomass

(2009) Roberto Rinaldi et al.   Energy & Environmental Science

Kinetic model for the hydrolysis of lignocellulosic biomass in the ionic liquid, 1-ethyl-3-methyl-imidazolium chloride

(2009) Laurent Vanoye et al.   GREEN CHEMISTRY

Evaluation of Density Functionals and Basis Sets for Carbohydrates

(2009) Gábor I. Csonka et al.   Journal of Chemical Theory and Computation

The Effects of Water on β-d-Xylose Condensation Reactions

(2009) Haitao Dong et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Performance of SM6, SM8, and SMD on the SAMPL1 Test Set for the Prediction of Small-Molecule Solvation Free Energies

(2009) Aleksandr V. Marenich et al.   JOURNAL OF PHYSICAL CHEMISTRY B

A universal approach for continuum solvent pK a calculations: are we there yet?

(2009) Junming Ho et al.   THEORETICAL CHEMISTRY ACCOUNTS

Depolymerization of Cellulose Using Solid Catalysts in Ionic Liquids

(2008) Roberto Rinaldi et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Cellulose Conversion under Heterogeneous Catalysis

(2008) Paresh L. Dhepe et al.   ChemSusChem

Mechanistic studies on the formation of glycosidase-substrate and glycosidase-inhibitor covalent intermediates

(2008) Natércia F. Brás et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Acid in ionic liquid: An efficient system for hydrolysis of lignocellulose

(2007) Changzhi Li et al.   GREEN CHEMISTRY