| scholarly article | Q13442814 |
| P50 | author | Takuya Uto | Q53415829 |
| P2093 | author name string | Toshifumi Yui | |
| P2860 | cites work | Insights into Hydrogen Bonding and Stacking Interactions in Cellulose | Q57951471 |
| Probing the Early Events Associated with Liquid Ammonia Pretreatment of Native Crystalline Cellulose | Q57951476 | ||
| Why the Standard B3LYP/6-31G* Model Chemistry Should Not Be Used in DFT Calculations of Molecular Thermochemistry: Understanding and Correcting the Problem | Q58201159 | ||
| Chemistry: Cellulose stacks up | Q59060216 | ||
| Assessment of a long-range corrected hybrid functional. | Q64989139 | ||
| Determination of the Structure of Cellulose II | Q67445519 | ||
| Calcofluor white ST Alters the in vivo assembly of cellulose microfibrils | Q71379819 | ||
| X-ray structure of mercerized cellulose II at 1 a resolution | Q77366407 | ||
| Molecular dynamics simulations of solvated crystal models of cellulose I(alpha) and III(I) | Q79739894 | ||
| AFM observation of band-like cellulose assemblies produced by Acetobacter xylinum | Q80971383 | ||
| Obtaining cellulose nanofibers with a uniform width of 15 nm from wood | Q81037104 | ||
| Native cellulose: a composite of two distinct crystalline forms | Q81089647 | ||
| Neutron crystallography, molecular dynamics, and quantum mechanics studies of the nature of hydrogen bonding in cellulose Ibeta | Q82298279 | ||
| "Nanocellulose" as a single nanofiber prepared from pellicle secreted by Gluconacetobacter xylinus using aqueous counter collision | Q83397680 | ||
| Homogeneous suspensions of individualized microfibrils from TEMPO-catalyzed oxidation of native cellulose | Q83973390 | ||
| Origin of the twist of cellulosic materials | Q86435582 | ||
| Evaluation of Density Functionals and Basis Sets for Carbohydrates | Q86812185 | ||
| Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density | Q21708802 | ||
| Cellulose: fascinating biopolymer and sustainable raw material | Q28247617 | ||
| Nanostructure of cellulose microfibrils in spruce wood | Q28742294 | ||
| Cellulose Structural Polymorphism in Plant Primary Cell Walls Investigated by High-Field 2D Solid-State NMR Spectroscopy and Density Functional Theory Calculations | Q28818077 | ||
| Orthotropic Piezoelectricity in 2D Nanocellulose | Q28822443 | ||
| Biomass recalcitrance: engineering plants and enzymes for biofuels production | Q29547628 | ||
| Crystal structure and hydrogen-bonding system in cellulose Ibeta from synchrotron X-ray and neutron fiber diffraction | Q34141867 | ||
| Challenges for density functional theory. | Q34242324 | ||
| Helicoidal self-ordering of cellulose microfibrils in aqueous suspension | Q34252387 | ||
| GLYCAM06: a generalizable biomolecular force field. Carbohydrates | Q34686342 | ||
| 3D electron tomography of pretreated biomass informs atomic modeling of cellulose microfibrils | Q34976404 | ||
| Wood-Derived Materials for Green Electronics, Biological Devices, and Energy Applications | Q36086142 | ||
| Quantum mechanics models of the methanol dimer: OH⋯O hydrogen bonds of β-d-glucose moieties from crystallographic data | Q36347542 | ||
| Parallel-up structure evidences the molecular directionality during biosynthesis of bacterial cellulose | Q36550582 | ||
| Cellulose nanocrystals: chemistry, self-assembly, and applications. | Q37702200 | ||
| Cellulose nanomaterials review: structure, properties and nanocomposites. | Q37874943 | ||
| The shape and size distribution of crystalline nanoparticles prepared by acid hydrolysis of native cellulose | Q41623667 | ||
| Comparison of aromatic NH···π, OH···π, and CH···π interactions of alanine using MP2, CCSD, and DFT methods | Q42867662 | ||
| Performance of M06, M06-2X, and M06-HF density functionals for conformationally flexible anionic clusters: M06 functionals perform better than B3LYP for a model system with dispersion and ionic hydrogen-bonding interactions | Q43535201 | ||
| Crystal structure and hydrogen bonding system in cellulose I(alpha) from synchrotron X-ray and neutron fiber diffraction | Q44660309 | ||
| Sum-frequency-generation vibration spectroscopy and density functional theory calculations with dispersion corrections (DFT-D2) for cellulose Iα and Iβ. | Q44807635 | ||
| TEMPO-mediated oxidation of native cellulose. The effect of oxidation conditions on chemical and crystal structures of the water-insoluble fractions | Q45053985 | ||
| Van der Waals versus hydrogen-bonding forces in a crystalline analog of cellotetraose: cyclohexyl 4'-O-cyclohexyl beta-D-cellobioside cyclohexane solvate. | Q45953531 | ||
| Molecular-scale investigations of cellulose microstructure during enzymatic hydrolysis. | Q46002542 | ||
| Simulations reveal conformational changes of methylhydroxyl groups during dissolution of cellulose Iβ in ionic liquid 1-ethyl-3-methylimidazolium acetate | Q46167449 | ||
| Evaluation of B3LYP, X3LYP, and M06-Class Density Functionals for Predicting the Binding Energies of Neutral, Protonated, and Deprotonated Water Clusters. | Q46487582 | ||
| Cellulose Crystal Dissolution in Imidazolium-Based Ionic Liquids: A Theoretical Study | Q47229810 | ||
| Dissolving process of a cellulose bunch in ionic liquids: a molecular dynamics study | Q50265753 | ||
| Swelling behavior of the cellulose Ibeta crystal models by molecular dynamics. | Q51143915 | ||
| Hydrogen-Bonding Network and OH Stretch Vibration of Cellulose: Comparison of Computational Modeling with Polarized IR and SFG Spectra. | Q51575160 | ||
| Nature, Strength, and Cooperativity of the Hydrogen-Bonding Network in α-Chitin. | Q52842373 | ||
| Describing Both Dispersion Interactions and Electronic Structure Using Density Functional Theory: The Case of Metal-Phthalocyanine Dimers. | Q52906188 | ||
| Theoretical study of the structural stability of molecular chain sheet models of cellulose crystal allomorphs. | Q53495034 | ||
| Conformational analysis of cellobiose by electronic structure theories | Q57250441 | ||
| Design of Density Functionals by Combining the Method of Constraint Satisfaction with Parametrization for Thermochemistry, Thermochemical Kinetics, and Noncovalent Interactions | Q57402160 | ||
| P433 | issue | 7 | |
| P304 | page(s) | 8050-8058 | |
| P577 | publication date | 2018-07-19 | |
| P1433 | published in | ACS Omega | Q27727647 |
| P1476 | title | DFT Optimization of Isolated Molecular Chain Sheet Models Constituting Native Cellulose Crystal Structures | |
| P478 | volume | 3 |
| Q98293128 | Probing DNA-Cleavage Efficiencies of Copper(II) Complexes: A Computational Perspective | cites work | P2860 |
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