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Sensors & Actuators: B. Chemical, ISSN 0925-4005, 03/2017, Volume 240, pp. 689 - 696
Transition metal spinel semiconductors, with a general formula of AB O , have been shown as a promising group for gas sensor applications. This paper reports a... 
Mesoporous material | Gas sensor | Benzene detection | Spinel gallate | ELECTROCHEMISTRY | CHEMISTRY, ANALYTICAL | SEMICONDUCTOR | ELECTRICAL-PROPERTIES | DIOXIDE | SENSOR | NANOSTRUCTURES | INVERSE SPINEL | MICROSTRUCTURES | NANOPARTICLES | INSTRUMENTS & INSTRUMENTATION | METAL-OXIDES | Actuators | Transition metals | Spinel | Semiconductors | Electrospinning | Hopping (conductivity) | Nanofibers | Gas sensors
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 4/2015, Volume 17, Issue 15, pp. 9644 - 965
Planar wheel-type D 6h M©B 6 H 6 −/0/+ (M = Mn, Fe and Co for anion, neutral and cation, respectively.) clusters with a planar hexacoordinate transition-metal... 
AROMATICITY | CARBON | CLUSTERS | CHEMICAL-SHIFTS | POPULATION ANALYSIS | HEXACOORDINATE | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | ATOMIC CHARGES | TETRACOORDINATE | CHEMISTRY, PHYSICAL | PENTACOORDINATE | ELECTRON-DENSITY
Journal Article
Energy, ISSN 0360-5442, 10/2016, Volume 113, pp. 282 - 287
The addition of Fe, Co and Ni to Al significantly improves the production of hydrogen in Al–H O reaction. The total mass of Fe and Ni is less than the mass of... 
Aluminum | Hydrogen generation | Hydrolysis reaction | SYSTEM | THERMODYNAMICS | MECHANISM | FEASIBILITY | ENERGY & FUELS | CORROSION | FUEL-CELL | AL(OH) | Hydrogen | Analysis | Corrosion and anti-corrosives | Aluminum oxide | Aluminum compounds
Journal Article
5. Full Text Photoelectron spectroscopic and computational studies of [EDTA·M(iii)]− complexes (M = H3, Al, Sc, V-Co)Electronic supplementary information (ESI) available: The M-O bond length differences (Å) by subtracting the equatorial bond from the axial bond in the optimized structures of [EDTA·M(iii)]− (M = Al, Sc, V-Co) using five different functionals (Table S1); comparison of experimental ADE/VDE values with calculated ones for all complexes using different functionals (Table S2); comparison of relative energies for the hexadentate [EDTA·M(iii)]− (M = V-Co) complexes of different spin states (Table S3); comparison of relative energies of different isomers for the [EDTA·M(iii)]− (M = Al, Sc, V-Co) complexes (Table S4); Laplacian of electron density (∇2ρ(rb)), and energy density (HBCP) at bond critical points of O-H O hydrogen bonds and hydrogen bonding distance obtained by using the atoms in molecules (AIM) methodology with the Multiwfn program (Table S5); orbital composition analysis of [EDTA·M(iii)]− (M = Al, Sc, V, Cr, Mn, Fe, Co) for HOMOs that contribute to the first peak (X) by the NAO method (Table S6); molecular graph of [EDTA·H3]− using the atoms in molecules (AIM) methodology (Fig. S1); molecular orbital pictures (HOMO to HOMO-10) of the most stable isomers for [EDTA·M(iii)]− (M = Al, Sc, V, Cr, Mn, Fe, Co) (Fig. S2); HOMO pictures of the most stable isomers of [EDTA·M(iii)]− (M = Al, Sc, V, Cr, Mn, Fe, Co) (Fig. S3); comparison of the trend of metal atom contribution (%) in HOMOs with the experimental VDEs and ADEs for [EDTA·M(iii)]− (M = Al, Sc, V, Cr, Mn, Fe, Co) (Fig. S4); TDDFT simulated spectra of the lowest isomers for [EDTA·M(iii)] (M = H3, Sc, Mn, Fe, Co) - using five different functionals, in comparison with the corresponding experimental spectra (Fig. S5); Cartesian coordinates for the optimized structures of [EDTA·M(iii)]− (M = Al, Sc, V, Cr, Mn, Fe, Co) and [EDTA·H3]− (total 53 pages). See DOI: 10.1039/c8cp01548a
ISSN 1463-9076, 7/2018, Volume 2, Issue 29, pp. 19458 - 19469
Metal-EDTA complexes commonly exist as biological redox reagents. We have generated a series of such complexes, [EDTA·M( iii )] − (M = Al, Sc, V-Co), via... 
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 07/2013, Volume 139, Issue 4, p. 044312
H(IO3)2(-) and M(IO3)2(-) (M = Li, Na, K) anions were successfully produced via electrospray ionization of their corresponding bulk salt solutions, and were... 
Anions
Journal Article
Physical chemistry chemical physics : PCCP, ISSN 1463-9076, 2018, Volume 20, Issue 46, pp. 29051 - 29060
We present results of combined experimental photoelectron spectroscopy and theoretical modeling studies of solvated dicarboxylate species (-O2C(CH2)2CO2-) in... 
Journal Article
Chemistry – A European Journal, ISSN 0947-6539, 02/2009, Volume 15, Issue 7, pp. 1757 - 1764
Contrasting magnetic properties: Two isostructural metal‐azido magnetic chains embedded in 3D threefold interpenetrated H‐bonded frameworks and separated by a... 
Heisenberg chain | Ising chain | magnetic properties | azides | single‐chain magnets | Azides | Single-chain magnets | Magnetic properties
Journal Article
Physical Chemistry Chemical Physics. PCCP (Print), ISSN 1463-9076, 01/2018, Volume 20, Issue 46
We present the results of combined experimental photoelectron spectroscopy and theoretical modeling studies of solvated dicarboxylate species (-O2C(CH2)2CO2-,... 
Journal Article
Inorganic Chemistry Frontiers, ISSN 2052-1553, 01/2014, Volume 1, Issue 1, pp. 83 - 98
We report here a new class of ammonium metal-formate frameworks of [NH2NH3][M(HCOO)(3)] (M = Mn2+, Zn2+, Co2+ and Mg2+) incorporating hydrazinium as the... 
LINEAR COMPRESSIBILITY | WEAK FERROMAGNETISM | TEMPERATURE | DISORDER | ORGANIC FRAMEWORK | FERROELECTRICITY | METAL FORMATE FRAMEWORKS | MULTIFERROICS | PEROVSKITES SYNTHESIS | CHEMISTRY, INORGANIC & NUCLEAR
Journal Article
Inorganic Chemistry, ISSN 0020-1669, 04/2018, Volume 57, Issue 7, pp. 3941 - 3947
The five heterometallic formate frameworks [EtA][(GaFeII)-Fe-III(HCOO)(6)] (1; EtA = CH3CH2NH3+), [DMA][(GaFeII)-Fe-III(HCOO)(6)] (2; DMA = (CH3)(2)NH2+),... 
FORMATE FRAMEWORKS | M-II | SERIES | METAL-ORGANIC FRAMEWORKS | PHASE-TRANSITION | DISORDER | VIBRATIONAL PROPERTIES | PEROVSKITE | PHONON PROPERTIES | CHEMISTRY, INORGANIC & NUCLEAR
Journal Article
Inorganic Chemistry, ISSN 0020-1669, 12/2012, Volume 51, Issue 24, pp. 13363 - 13372
Journal Article