Results 41 to 50 of about 16,319 (283)
Orbital: The Electronic Journal of Chemistry, 2017 A theoretical study of the structural parameters, electronic properties and vibration modes of the C2H4O∙∙∙HOCl and C2H5N∙∙∙HOCl complexes. The great particularity of these complexes is the O–Cl s-hole, which is considered a proton donor center due to ...
Boaz Galdino de Oliveira
doaj +1 more source
A hybrid Pt/NbO/CNTs catalyst with high activity and durability for oxygen reduction reaction in PEMFC [PDF]
, 2020 To improve the kinetics and durability of Pt-based electrodes toward the oxygen reduction reaction (ORR), high electroactive and stable catalysts were synthesized by depositing Pt over niobium oxide (NbO) supported on commercial multi-wall carbon ...
Easton, E. B. +4 more
core +1 more source
Angewandte Chemie, EarlyView.This work presents the synthesis, characterization, and reactivity of an iridium distannylidyne as the first heavy transition metal ditetrylidyne. Characterized by its short Ir─Sn bonds and linear bonding angles at the tin atoms, this compound displays versatile reactivity toward carbon dioxide and trimethylsilyl azide.
Lennart G. Holzapfel +6 more
wiley +2 more sources
Thermally activated epitaxy of NbO
Physical Review MaterialsTo appear in PR ...
Sandra Glotzer +2 more
openaire +2 more sources
NBO/NRT Two-State Theory of Bond-Shift Spectral Excitation
, 2020 We show that natural bond orbital (NBO) and natural resonance theory (NRT) analysis methods provide both optimized Lewis-structural bonding descriptors for ground-state electronic properties as well as suitable building blocks for idealized &ldquo ...
Yinchun Jiao, Frank Weinhold
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Angewandte Chemie, EarlyView.This work demonstrates a layer‐bridging coordination strategy of Co single atoms in COFs that promotes the formation and utilization of triplet excited states. The introduction of Co single atoms induces pronounced energy‐level splitting and enhanced spin–orbit coupling, facilitating the generation of 1O2 and O2•– for efficient photocatalytic H2O2 ...
Guoen Tang +6 more
wiley +2 more sources
Бессвинцовый наноструктурный пьезокерамический материал на основе (K, Na)NbO₃ [PDF]
, 2012 Исследовано влияние условий синтеза и спекания на микроструктуру и электрофизические свойства бессвинцовой пьезокерамики на основе твёрдого раствора ниобата калия—натрия состава (K₀,₅Na₀,₅)NbO₃. Предложен способ синтеза (K₀,₅Na₀,₅)NbO₃, который позволяет
Гусакова, Л.Г. +4 more
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Synthesis, Characterisation, Crystal Structure, DFT, and Hirshfeld Surface Study of a Slightly Distorted Tetrahedral Zn(II) Complex Based on Triphenylphosphanol [PDF]
Iranian Journal of Chemistry & Chemical EngineeringAn intriguing novel complex, [ZnCl2(Ph3POH)2], containing two equivalents of triphenylphosphanol (Ph3POH), was synthesized by reacting anhydrous ZnCl2 with triphenylphosphine in methanol, yielding a dichlorobis(triphenylphosphanol)-zinc(II) complex with ...
Karwan Ali, Nabil Fakhre, Salim Saber
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Cysteine Thioaldehydes: Photolytic Generation, Reactivity, and Biological Implications
Angewandte Chemie, EarlyView.Photolysis of cysteine phenacylsulfides bearing non‐conjugating electron‐withdrawing substituents leads to high conversions into cysteine thioaldehydes through a Norrish type‐II pathway. This methodology enabled the study of the aqueous reactivity of these important biosynthetic intermediates, which, depending on peptide sequence, pH and buffer ...
Ardra Karthika +9 more
wiley +2 more sources
Adsorption behavior of the Al- and Ga-doped B12N12 nanocages on COn (n=1, 2) and HnX (n=2, 3 and X=O, N): A comparative study [PDF]
Chemical Review and Letters, 2019 In this work, density functional theory (DFT) calculations at the M06-2X/6-31+G* level are performed to the adsorption of COn (n=1, 2) and HnX (n=2, 3 and X=O, N)molecules onto pristine as well as Al- and Ga-doped B12N12 nanocages. We study the effect of
Hwda Ghafur Rauf +3 more
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