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International Journal of Quantum Chemistry, ISSN 0020-7608, 03/2018, Volume 118, Issue 6, pp. e25528 - n/a
Theoretically new high‐energy‐density materials (HEDM) in which the hydrogens on RDX and β‐HMX (hexahydro‐1,3,5‐trinitro‐1,3,5‐triazine and... 
HMX | detonation property | density functional theory | RDX
Journal Article
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, ISSN 0020-7608, 03/2018, Volume 118, Issue 6
Journal Article
Applied Catalysis B: Environmental, ISSN 0926-3373, 09/2019, Volume 252, pp. 62 - 76
OH or SO4− are powerful oxidants that efficiently degrade recalcitrant contaminants. The productions of OH and SO4− via activation of their precursors (H2O2... 
Electric potential | Hydrogen peroxide | Catalysts | Recyclability | Oxidizing agents | Decomposition | Sulfur dioxide | Refractory materials | Oxidants | Contaminants | Precursors | Sodium persulfate | Phenols | Surface properties | Iron oxides | Chemical synthesis | Species
Journal Article
Magnetic Resonance in Chemistry, ISSN 0749-1581, 11/2018, Volume 56, Issue 11, pp. 1089 - 1093
Journal Article
Nature Communications, ISSN 2041-1723, 12/2015, Volume 6, Issue 1, pp. 8965 - 8965
Low detection sensitivity stemming from the weak polarization of nuclear spins is a primary limitation of magnetic resonance spectroscopy and imaging. Methods... 
FIELDS | LASER-POLARIZED XENON | NMR | MRI | MULTIDISCIPLINARY SCIENCES | SOLIDS | STATE | PARAHYDROGEN | EXCHANGE | BULK | LIQUIDS | CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS
Journal Article
European Journal of Organic Chemistry, ISSN 1434-193X, 12/2018, Volume 2018, Issue 45, pp. 6343 - 6349
2‐Quinolylzincates were efficiently produced from the regioselective metalation reactions of quinoline with various organozincates as key intermediates. The... 
Quinolines | Zincates | Nitrogen heterocycles | Regioselectivity | One‐pot reactions | One-pot reactions | COMPLEX | REAGENTS | ARENES | CHEMISTRY, ORGANIC | PYRIDINES | CATALYST | ZINC | BASE | ATE | Hydroxylation | Quinoline | Homology | Organic compounds
Journal Article
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, ISSN 0027-8424, 07/2019, Volume 116, Issue 28, pp. 13816 - 13824
Journal Article
Fuel, ISSN 0016-2361, 11/2019, Volume 255, p. 115845
We herein report our new hydrogenation strategy realized at room temperature and atmospheric pressure for stabilizing lignin model phenols in the presence of... 
Lignin | Parahydrogen | Hydrogenation | Wilkinson’s catalyst | Hyperpolarization
Journal Article
Journal of Nuclear Science and Technology, ISSN 0022-3131, 04/2018, Volume 55, Issue 4, pp. 424 - 428
Understanding of chemical bonding is a fundamentally important topic. Given the importance of bonding studies, we performed quantum calculations on plutonium... 
calculation | NMR | DFT | chemical bonding | plutonium | nuclear reactor | Pyroprocess | NUCLEAR SCIENCE & TECHNOLOGY | ACTINIDE OXIDES | Radioactive wastes | Nuclear magnetic resonance--NMR | Mathematical analysis | Waste treatment | Chemical bonds | Plutonium | Magnetic properties
Journal Article
Chemical Communications, ISSN 1359-7345, 2016, Volume 52, Issue 15, pp. 3119 - 3122
Journal Article
MATERIALS, ISSN 1996-1944, 05/2019, Volume 12, Issue 10, p. 1617
In recent years, nano-reinforcing technologies for cementitious materials have attracted considerable interest as a viable solution for compensating the poor... 
THIN-FILMS | DISPERSION | MATERIALS SCIENCE, MULTIDISCIPLINARY | WALLED CARBON NANOTUBES | NANO-TIO2 | mechanical properties | HYDROTHERMAL SYNTHESIS | TRICALCIUM SILICATE | nano-reinforcing | PHOTOCATALYTIC ACTIVITY | hydration | SURFACE | cementitious composite | TNT | TIO2 NANOPARTICLES | TITANATE
Journal Article
Chemical Communications, ISSN 1359-7345, 2017, Volume 53, Issue 6, pp. 1076 - 1079
We report a CB6 rotaxane for the 129Xe hyperCEST NMR detection of matrix metalloprotease 2 (MMP-2) activity. MMP-2 is overexpressed in cancer tissue, and hence... 
Synthesis (chemistry) | Accessibility | Rotaxanes | Markers | Cleavage | Nuclear magnetic resonance | Recognition | Cancer
Journal Article
ChemPhysChem, ISSN 1439-4235, 12/2015, Volume 16, Issue 17, pp. 3573 - 3577
Recent work has shown that xenon chemical shifts in cryptophane‐cage sensors are affected when tethered chelators bind to metals. Here, we explore the xenon... 
DOTA | metal-ion sensors | xenon | NMR spectroscopy | cryptophane | Nuclear magnetic resonance spectroscopy | Sensors | Diastereomers | Investigations | Metals
Journal Article
Progress in Nuclear Energy, ISSN 0149-1970, 11/2019, Volume 117, p. 103043
Cementitious materials, such as concrete, have been widely used in nuclear reactors and neutron source research facilities as a radiation shielding material... 
Shielding | Nano-TiO2 | MCNP | Neutron | Cement
Journal Article
Bioconjugate Chemistry, ISSN 1043-1802, 08/2016, Volume 27, Issue 8, pp. 1796 - 1801
Journal Article
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