Cellobiose as a model system to reveal cellulose dissolution mechanism in acetate-based ionic liquids: Density functional theory study substantiated by NMR spectra.
暂无分享,去创建一个
[1] G Narahari Sastry,et al. Cooperative or Anticooperative: How Noncovalent Interactions Influence Each Other. , 2015, The journal of physical chemistry. B.
[2] Zhenghui Liu,et al. The dynamic process of radioactive iodine removal by ionic liquid 1-butyl-3-methyl-imidazolium acetate: discriminating and quantifying halogen bonds versus induced force , 2014 .
[3] Asanah Radhi. NMR studies of cellulose dissolution in ionic liquids , 2014 .
[4] J. Avilés-Moreno,et al. Conformational landscape of L-threonine in neutral, acid and basic solutions from vibrational circular dichroism spectroscopy and quantum chemical calculations , 2013 .
[5] Jean-Philip Piquemal,et al. Are Bond Critical Points Really Critical for Hydrogen Bonding? , 2013, Journal of chemical theory and computation.
[6] Chuanbing Tang,et al. Controlled Polymerization of Next-Generation Renewable Monomers and Beyond , 2013 .
[7] Tian Lu,et al. Quantitative analysis of molecular surface based on improved Marching Tetrahedra algorithm. , 2012, Journal of molecular graphics & modelling.
[8] Tian Lu,et al. Multiwfn: A multifunctional wavefunction analyzer , 2012, J. Comput. Chem..
[9] Zhiyong Li,et al. Influence of anionic structure on the dissolution of chitosan in 1-butyl-3-methylimidazolium-based ionic liquids , 2011 .
[10] Franck Fuster,et al. Intramolecular hydrogen bonds: the QTAIM and ELF characteristics. , 2011, The journal of physical chemistry. A.
[11] B. Weckhuysen,et al. Lignin solubilization and aqueous phase reforming for the production of aromatic chemicals and hydrogen. , 2011, ChemSusChem.
[12] Peter Politzer,et al. The electrostatic potential: an overview , 2011 .
[13] T. Budtova,et al. Influence of cellulose on ion diffusivity in 1-ethyl-3-methyl-imidazolium acetate cellulose solutions. , 2010, Biomacromolecules.
[14] Julia Contreras-García,et al. Revealing noncovalent interactions. , 2010, Journal of the American Chemical Society.
[15] Jun Zhang,et al. NMR spectroscopic studies of cellobiose solvation in EmimAc aimed to understand the dissolution mechanism of cellulose in ionic liquids. , 2010, Physical chemistry chemical physics : PCCP.
[16] J. Simons,et al. The building blocks of cellulose: the intrinsic conformational structures of cellobiose, its epimer, lactose, and their singly hydrated complexes. , 2009, Journal of the American Chemical Society.
[17] J. Murray,et al. The Electrostatic Potential as a Guide to Molecular Interactive Behavior , 2009 .
[18] Donald G Truhlar,et al. Density functionals with broad applicability in chemistry. , 2008, Accounts of chemical research.
[19] K. R. Seddon,et al. The distillation and volatility of ionic liquids , 2006, Nature.
[20] Jun Zhang,et al. 1-Allyl-3-methylimidazolium chloride room temperature ionic liquid: A new and powerful nonderivatizing solvent for cellulose , 2005 .
[21] R. Bogel-Łukasik,et al. Physicochemical properties and solubility of alkyl-(2-hydroxyethyl)-dimethylammonium bromide. , 2005, The journal of physical chemistry. B.
[22] J. Leszczynski,et al. Properties of the C−H···H Dihydrogen Bond: An ab Initio and Topological Analysis , 2004 .
[23] Robin D. Rogers,et al. Dissolution of Cellose with Ionic Liquids , 2002 .
[24] E. Glendening,et al. Natural bond orbital methods , 2002 .
[25] K. R. Seddon,et al. Ionic Liquids: Green Solvents for the Future , 2001 .
[26] C. Lecomte,et al. Topological analysis of the electron density in hydrogen bonds. , 1999, Acta crystallographica. Section B, Structural science.
[27] R. Millane,et al. Crystal Structure of Valonia Cellulose Iβ , 1998 .
[28] Claude Lecomte,et al. Hydrogen bond strengths revealed by topological analyses of experimentally observed electron densities , 1998 .
[29] Paul L. A. Popelier,et al. Characterization of a Dihydrogen Bond on the Basis of the Electron Density , 1998 .
[30] K Schulten,et al. VMD: visual molecular dynamics. , 1996, Journal of molecular graphics.
[31] Cheng Chang,et al. Properties of atoms in molecules: atomic volumes , 1987 .
[32] P. Kollman,et al. An approach to computing electrostatic charges for molecules , 1984 .
[33] S. F. Boys,et al. The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors , 1970 .
[34] Fu Rong,et al. Comparing Methods for Predicting the Reactive Site of Electrophilic Substitution , 2014 .
[35] Giovanni Scalmani,et al. Gaussian 09W, revision A. 02 , 2009 .
[36] R. Bader. Atoms in molecules : a quantum theory , 1990 .