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Journal of Physical Chemistry C, ISSN 1932-7447, 04/2015, Volume 119, Issue 14, pp. 7648 - 7655
Understanding ion transport in electrolytes is crucial for fabricating high-performance batteries. Although several ionic liquids have been explored for use as... 
PHYSICOCHEMICAL PROPERTIES | POSITIVE ELECTRODE | TEMPERATURE | NAFSA-KFSA | CONDUCTIVITY | MOLTEN-SALTS | MATERIALS SCIENCE, MULTIDISCIPLINARY | CHEMISTRY, PHYSICAL | NANOSCIENCE & NANOTECHNOLOGY | VISCOSITY | POLYMER ELECTROLYTES | 363 K
Journal Article
Fluid Phase Equilibria, ISSN 0378-3812, 10/2017, Volume 449, pp. 130 - 137
The isobaric Vapor-Liquid Equilibrium (VLE) data at 101.3 kPa were measured for the binary systems isobutyl alcohol + N, N-dimethyl acetamide (DMAC), isobutyl... 
Isobutyl alcohol | Isobutyl acetate | Vapor-liquid equilibrium | N, N-dimethyl acetamide | Cytokinins | Thermodynamics | Amides | Esters | Physical instruments | Analysis
Journal Article
Chemistry – A European Journal, ISSN 0947-6539, 11/2016, Volume 22, Issue 45, pp. 16057 - 16061
The first example of intermolecular amination of unactivated C(sp3)−H bonds by cyclic alkylamines mediated by Cu(OAc)2/O2 is reported. This method avoids the... 
C−N bonds | copper | amination | C−H activation | cyclic alkylamine | Oxygen | Synthesis | Amination | Amino acids | Activation | Copper | Alkylamines | Bonding | Reagents | Chemical bonds | Formations
Journal Article
6. Full Text Role of the (H2O)n (n = 1-3) cluster in the HO2 + HO → 3O2 + H2O reaction: mechanistic and kinetic studiesElectronic supplementary information (ESI) available: Table S1 displays the rate constants (cm3 molecules−1 s−1) of the HO2 + HO → 3O2 + H2O reaction within the temperature range of 240.0-425.0 K; the optimized geometrical complexes between HO2 radical and (H2O)n (n = 1-3) and the complexes between HO radical and (H2O)n (n = 1-3) at the M06-2X/aug-cc-pVTZ level of theory are respectively shown in Fig. S1; the equilibrium constants of the complexes between HO2 radical and (H2O)n (n = 1-3), as well as the complexes between HO radical and (H2O)n (n = 1-3) within the temperature range of 240.0-425.0 K are displayed in Table S2; geometrical parameters for the reaction HO2 + HO → H2O + 3O2 with the catalyst X (X = H2O, (H2O)2 and (H2O)3) optimized at the CCSD(T)/aug-cc-pVTZ//M06-2X/aug-cc-pVTZ level of theory, respectively, are described in Fig. S2-S4; zero point energies (ZPE/(kcal mol−1)), entropies (S/(cal mol−1 K−1)), relative energies (ΔE and Δ(E + ZPE)/(kcal mol−1)), enthalpies (ΔH(298 K)/(kcal mol−1)), and free energies (ΔG(298 K)/(kcal mol−1)) for complexes between HO2 radical and (H2O)n (n = 1-3) as well as complexes between HO radical and (H2O)n (n = 1-3) are listed in Table S3; zero point energies (ZPE/(kcal mol−1)), relative energies (ΔE and Δ(E + ZPE)/(kcal mol−1)), enthalpies (ΔH(298)/(kcal mol−1)), and free energies (ΔG(298)/(kcal mol−1)) for the HO2 + HO → H2O + 3O2 reaction without and with (H2O)n (n = 1-3) are listed in Tables S4, S5, S6 and S7, respectively. Table S8 displays the calculated total electronic energies (E) for the reactants, intermediates, transition states, and products for the reaction HO2 + HO2 → H2O2 + 3O2 without water, complexes between HO2 radical and H2O, and complexes between HO radical and H2O at the CCSD(T) level in conjunction with the aug-cc-pVTZ, aug-cc-pVQZ, and aug-cc-pV5Z basis sets as well as at the M06-2X/aug-cc-pVTZ level of theory. Table S9 shows the rate constants and effective rate constants (cm3 molecule−1 s−1) of the HO2 + HO → H2O + 3O2 reaction with (H2O)n (n = 1-3) within the temperature range of 240-425 K in the earth's atmosphere. Fig. S5 shows schematic energy diagrams of the water-assisted HO2 + HO → 3O2 + H2O reaction. See DOI: 10.1039/c8cp00020d
ISSN 1463-9076, 3/2018, Volume 2, Issue 12, pp. 8152 - 8165
To study the catalytic effects of (H 2 O) n ( n = 1-3), the mechanisms of the reaction HO 2 + HO → 3 O 2 + H 2 O without and with (H 2 O) n ( n = 1-3) have... 
Journal Article
Molecular Crystals and Liquid Crystals, ISSN 1542-1406, 01/2016, Volume 624, Issue 1, pp. 205 - 212
An asymmetric dialkylamino-substituted perylene bisimide (1), N,N′-bis(cyclohexyl)-1-(N,N-dihexylamino)perylene-3,4:9,10-bis(dicarboximide), was synthesized... 
enantiomer | perylene dianhydrides | x-ray diffraction | Axial chirality | perylene bisimides | X-ray diffraction | MATERIALS SCIENCE, MULTIDISCIPLINARY | LIGHT | CRYSTALLOGRAPHY | PERYLENE BISIMIDE DYES | CHEMISTRY, MULTIDISCIPLINARY | FACILE SYNTHESIS | FLUORESCENCE | DIIMIDES | COLOR | Diffraction | Crystal structure | Asymmetry | Stacking | X-rays | Crystals | Dimers | Liquid crystals
Journal Article
Journal of Nuclear Science and Technology, ISSN 0022-3131, 07/2019, Volume 56, Issue 7, pp. 580 - 587
The extraction of Ce(III) nitrate has been investigated by using N, N′-dimethyl-N, N′-dioctyl-diglycolamide (DMDODGA = L) as extractant with... 
lanthanide | solvent extraction | DMDODGA | high-level radioactive waste | ionic liquids | NUCLEAR SCIENCE & TECHNOLOGY | BEHAVIOR | CHEMISTRY | ACTINIDES | COMPLEXATION | SOLVENT | NITRIC-ACID MEDIUM
Journal Article
Angewandte Chemie International Edition, ISSN 1433-7851, 05/2014, Volume 53, Issue 19, pp. 4950 - 4953
Described herein is a manganese‐catalyzed dehydrogenative [4+2] annulation of NH imines and alkynes, a reaction providing highly atom‐economical access to... 
CH activation | heterocycles | manganese | synthetic methods | alkynes | C-H activation | AROMATIC KETIMINES | ISOQUINOLINES | FUNCTIONALIZATIONS | CARBON-CARBON BONDS | COPPER | INTERNAL ALKYNES | CHEMISTRY, MULTIDISCIPLINARY | MOLECULES | CH activation | DERIVATIVES | ALKENYLATION | CYCLIZATION | Organic chemistry | Additives | Imines | Oxidants | Dehydrogenation | Byproducts | Activation | Catalysis | Alkynes
Journal Article
The Journal of Chemical Thermodynamics, ISSN 0021-9614, 02/2017, Volume 105, pp. 165 - 172
The solubility of 3-methyl-4-nitrobenzoic acid (MNBA) in binary (1,4-dioxane + methanol), ( -methyl-2-pyrrolidone (NMP) + methanol) and ( , -dimethylformamide... 
Jouyban-Acree | 3-Methyl-4-nitrobenzoic acid | CNIBS/R-K | Solubility | THERMODYNAMICS | PURE SOLVENTS | CHEMISTRY, PHYSICAL | ETHANOL | 9 ORGANIC-SOLVENTS | WATER | Thermodynamics | Cytokinins | Dioxane | Models | Methanol
Journal Article
Journal of the American Chemical Society, ISSN 0002-7863, 05/2014, Volume 136, Issue 20, pp. 7197 - 7200
A series of all-thiol stabilized bimetallic Au-Cu nanoclusters, [Au(12+n)Cu32(SR)(30+n)](4-) (n = 0, 2, 4, 6 and SR = SPhCF3), are successfully synthesized and... 
Journal Article