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Permeation rates of oxygen through a lipid bilayer using replica exchange transition interface sampling
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Targeted delivery of adamantylated peptidoglycan immunomodulators in lipid nanocarriers : NMR shows that cargo fragments are available on the surface
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From ionic surfactants to Nafion through convolutional neural networks
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Asymmetrical, symmetrical, divalent, and Y-shaped (bola)amphiphiles : the relationship between the molecular structure and self-assembly in amino derivatives of sophorolipid biosurfactants
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Molecular model for the self-assembly of the cyclic lipodepsipeptide pseudodesmin A
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- Journal Article
- A1
- open access
Atomistic insight into Tetraalkylphosphonium Bis(oxalato)borate Ionic liquid/water mixtures. 2. volumetric and dynamic properties
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Easily accessible rare-earth-containing phosphonium room-temperature ionic liquids: EXAFS, luminescence, and magnetic properties
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Tuning of polymeric nanoparticles by coassembly of thermoresponsive polymers and a double hydrophilic thermoresponsive block copolymer
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- Journal Article
- A1
- open access
Atomistic insight into Tetraalkylphosphonium-Bis(oxalato)borate Ionic liquid/water mixtures. I. local microscopic structure
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- Journal Article
- A1
- open access
EMR Study and DFT-assisted identification of transient radicals in X‑irradiated crystalline sucrose
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- Journal Article
- A1
- open access
Characterizing generated charged inverse micelles with transient current measurements
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- Journal Article
- A1
- open access
Atomistic insight into orthoborate-based ionic liquids : force field development and evaluation
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The influence of Ser-154, Cys-113, and the phosphorylated threonine residue on the catalytic reaction mechanism of Pin1
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Magnetic nanoparticles for in vivo use : a critical assessment of their composition
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Critical analysis of the accuracy of models predicting or extracting liquid structure information
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Dominant stable radicals in irradiated sucrose: g tensors and contribution to the powder electron paramagnetic resonance spectrum
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NMR investigation of exchange dynamics and binding of phenol and phenolate in DODAC vesicular dispersions
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Molecular dynamics and umbrella sampling study of stabilizing factors in cyclic peptide-based nanotubes
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Nitrile-functionalized pyridinium, pyrrolidinium, and piperidinium ionic liquids
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Oxidation and reduction products of X irradiation at 10 K in sucrose single crystals: radical identification by EPR, ENDOR, and DFT
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Influence of protein environment on the electron paramagnetic resonance properties of flavoprotein radicals: a QM/MM study
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Probing the molecular level of polyimide-based solvent resistant nanofiltration membranes with positron annihilation spectroscopy
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A joined theoretical-experimental investigation on the 1H and 13C NMR signatures of defects in poly(vinyl chloride)
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Multifunctional Membranes for Solvent Resistant Nanofiltration and Pervaporation Applications Based on Segmented Polymer Networks
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Screening and separation of charges in microscale devices: complete planar solution of the Poisson-Boltzmann equation
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Radiation-Induced Radicals in Glucose-1-phosphate. II. DFT Analysis of Structures and Possible Formation Mechanisms
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Radiation-Induced Radicals in Glucose-1-phosphate. I. Electron Paramagnetic Resonance and Electron Nuclear Double Resonance Analysis of in situ X-Irradiated Single Crystals at 77 K
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Identification and conformational study of stable radiation-induced defects in sucrose single crystals using density functional theory calculations of electron magnetic resonance parameters
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Temperature study of a glycine radical in the solid state adopting a DFT periodic approach: Vibrational analysis and comparison with EPR experiments
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Molecular environment and temperature dependence of hyperfine interactions in sugar crystal radicals from first principles
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Choline saccharinate and choline acesulfamate : ionic liquids with low toxicities
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Magnetic alignment study of rare-earth-containing liquid crystals
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Task-specific ionic liquid for solubilizing metal oxides
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n- and isoalkane adsorption mechanisms on zeolite MCM-22
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X- (X = O, S) ions in alkali halide lattices through density functional calculations. 1. Substitutional defect models
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A unified single-event microkinetic model for alkane hydroconversion in different aggregation states on Pt/H-USY-zeolites
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X- (X = O, S, Se) ions in alkali halide lattices through density functional calculations. 2. Interstitial defect models
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Fe/Co alloys for the catalytic chemical vapor deposition synthesis of single- and double-walled carbon nanotubes (CNTs), 2: the CNT-Fe/Co-MgAl2O4 system
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Fe/Co alloys for the catalytic chemical vapor deposition synthesis of single- and double-walled carbon nanotubes (CNTs), 1 : the CNT-Fe/Co-MgO system
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Ab initio reaction path analysis of benzene hydrogenation to cyclohexane on Pt(111)
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DFT investigation of alkoxide vs alkylammonium formation in amine-substituted zeolites
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Aluminum incorporation into MCM-48 toward the creation of Bronsted acidity
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TiOx-VOx mixed oxides on SBA-15 support prepared by the designed dispersion of acetylacetonate complexes: Spectroscopic study of the reaction mechanisms
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The influence of the alcohol concentration on the structural ordering of mesoporous silica : cosurfactant versus cosolvent
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A counterion-catalyzed ((SH+)-H-0)(X-I+) pathway toward heat- and steam-stable mesostructured silica assembled from amines in acidic conditions
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Controlled reduction of the acid site density of SAPO-34 molecular sieve by means of silanation and disilanation
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Density functional theory analysis of benzene (De)hydrogenation on Pt(111): Addition and removal of the first two H-atoms
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Tracer chromatographic study of pore and pore mouth adsorption of linear and monobranched alkanes on ZSM-22 zeolite
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Growth of iron oxide on yttria-stabilized zirconia by atomic layer deposition
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Rationalization of the synthesis of SBA-16 : controlling the micro- and mesoporosity
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A new templated ordered structure with combined micro- and mesopores and internal silica nanocapsules
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Carbon nanotubes by a CVD method. Part I: Synthesis and characterization of the (Mg, Fe)O catalysts
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Carbon nanotubes by a CVD method. Part II: Formation of nanotubes from (Mg, Fe)O catalysts
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Density functional study of benzene adsorption on Pt(111).
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A high-yield reproducible synthesis of MCM-48 starting from fumed silica
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Supported tantalum oxide and supported vanadia-tantala mixed oxides : structural characterization and surface properties
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Vanadium-incorporated MCM-48 materials : optimization of the synthesis procedure and an in situ spectroscopic study of the vanadium species
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Incorporation of transition metal ions in aluminophosphate molecular sieves with AST structure
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A study of the formation of single- and double-walled carbon nanotubes by a CVD method.
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AlOx coating of ultrastable zeolite Y : a possible method for vanadium passivation of FCC catalysts
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Electron spin resonance of high-spin cobalt in microporous crystalline cobalt-containing aluminophosphates
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Photoanodic dissolution of n-InP : an electrochemical impedance study
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Synthesis of stable, hydrophobic MCM-48/VOx catalysts using alkylchlorosilanes as coupling agents for the molecular designed dispersion of VO(acac)2
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The electrochemical impedance of one-equivalent electrode processes at dark semiconductor vertical bar redox electrodes involving charge transfer through surface states, 1 : theory
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The electrochemical impedance of one-equivalent electrode processes at dark semiconductor/redox electrodes involving charge transfer through surface states, 2 : the n-GaAs/Fe3+ system as an experimental example
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Synthesis of high-quality MCM-48 and MCM-41 by means of the GEMINI surfactant method
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Supported vanadium oxide catalysts : quantitative spectroscopy, preferential adsorption of V4+/5+, and Al2O3 coating of zeolite Y
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Creation of VOx surface species on pure silica MCM-48 using gas-phase modification with VO(acac)(2)
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On the diffusion impedance at semiconductor electrodes
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Solids modeled by ab initio crystal-field methods .12. Structure, orientation, and position of A-type carbonate in a hydroxyapatite lattice.