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461
Synthesis and crystal structure of 2,2,2-trichloroethyl N-{4-[6-(1-hydroxyethyl)-1,2,4,5-tetrazin-3-yl]benzyl}carbamate
Published 2025-02-01“…The carbamate moieties form intermolecular hydrogen bonds, stacking the tetrazine molecules above each other, while lateral hydrogen bonds are formed between a tetrazine N atom and a hydroxyl group, the latter interaction being a scarcely explored structural feature of 1,2,4,5-tetrazines.…”
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462
Density Functional Study of the Adsorption of Methanol and its Derivatives on Boron Nitride Nanotubes
Published 2013-09-01“…The study results showed that molecules of methanol can be chemically adsorbed on top of a sidewall B atom with an adsorption energy of −0.67 eV, which is stronger than that of carbon nanotubes. …”
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463
Roles of doping in enhancing the performance of graphene/graphene-like semiconductors
Published 2025-01-01“…This paper reviews various doping types and their impacts on graphene, emphasizing the effects of boron (B) doping, nitrogen (N) doping, oxygen-group doping, other non-metallic atom or atomic pair doping, and metallic doping. …”
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464
The Role of Hydrogen Bond Interactions in Crystal Formation of Pyrrolo-Azines Alcohols
Published 2025-01-01“…One of the most important features is the presence of the hydroxyl group bonded to an asymmetric carbon atom which was involved in strong hydrogen bonds. …”
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465
Hemoglobin: A Nitric-Oxide Dioxygenase
Published 2012-01-01“…The mechanism of NOD catalysis by representative single domain hemoglobins and multidomain flavohemoglobin occurs through a multistep mechanism involving O2 migration to the heme pocket, O2 binding-reduction, NO migration, radical-radical coupling, O-atom rearrangement, nitrate release, and heme iron re-reduction. …”
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466
An Overview of Lithium-Ion Battery Safety: Existing Problems and Potential Solutions
Published 2025-01-01“…Through doping, coating, nanoparticle design, and metal atom replacement, electrode materials can be improved to increase cathode safety, LiF coatings on NCM811 cathodes are one prominent example. …”
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467
Point-of-Care Based Electrochemical Immunoassay for Epstein-Barr Virus Detection
Published 2022-01-01“…First, a monolayer of 1,6-hexanedithiol (HDT) was fabricated on the screen-printed electrode surface by the interaction between sulfur atoms and SPE. AuNPs can be modified on the electrode by the Au-S bond formed between the HDT-free group and Au atom in AuNPs. …”
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468
Cu(OTf)2-catalyzed multicomponent reactions
Published 2025-01-01“…These strategies have gained attention due to their highly atom- and step-economy, one-step multi-bond forming, mild reaction conditions, low cost and easy handling.…”
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469
Nanohydroxyapatite Application to Osteoporosis Management
Published 2013-01-01“…This is based on the concept that the mineral atoms arranged in a crystal structure of hydroxyapatite can be substituted or incorporated by the other mineral atoms. …”
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470
Synthesis and study of superacid ZrO–SiO–AlO mixed oxide
Published 2017-06-01“…Observed high-energy shift of Zr 3 d 5/2 peak in the X-ray photoelectron spectrum and low-field shift of 29 Si nuclear magnetic resonance signal of superacid Zr 35 Si 53 Al 12 oxide indicate that the electron density transfers from zirconium to silicon atom. The generation of superacidity in ZrO 2 –SiO 2 –Al 2 O 3 matrix could be explained by formation of coordinatively unsaturated Zr 4+ ions which are strong L-sites. …”
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471
How Indonesian sees the colors: Natural semantic metalanguage theory
Published 2022-08-01“…This occurred due to the difference of the usage of semantic atom to explain the meaning of color. To explicate the color of black, Indonesian uses charcoal. …”
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472
Entanglement Research for the Coupled Superconducting Phase Qubit and a Two-Level System
Published 2020-01-01“…Entanglement can exist not only in the microscopic system (e.g., atom, photon, and ion trap) but also in macroscopic systems. …”
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473
Synthesis of Nitrogen-Doped Carbon Nanocoils with Adjustable Morphology using Ni–Fe Layered Double Hydroxides as Catalyst Precursors
Published 2015-01-01“…The adjustable ranges of the coil diameter, coil pitch, fibre diameter, and nitrogen content were confirmed to be approximately 500±100 nm, 600±100 nm, 100±20 nm, and 1.1±0.3 atom%, respectively.…”
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474
Theoretical Study of Terminal Vanadium(V) Chalcogenido Complexes Bearing Chlorido and Methoxido Ligands
Published 2017-01-01“…The optimized complexes show distorted octahedral geometries around the central vanadium atom. The ligand pπ-vanadium dπ interactions were analyzed by natural bond order (NBO) and natural population analyses (NPA). …”
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475
Synthesis, Spectroscopic Characterization and Preliminary Antimicrobial Studies of Mn(II) and Cu(II) Complexes of two Thiolates; S,S’-(2,6-Diaminopyridine-3,5-diyl) Dibenzenecarbot...
Published 2011-01-01“…The IR spectral studies indicate that the ligands coordinated through the carbonyl oxygen, the sulphur atom and also with the amino group in DBCT. Antimicrobial studies on the ligands and their complexes showed varying degrees of inhibition on the growth of the following microorganisms; Staphylococcus aureus (ATCC 25923), Pseudomonas aeruginosa (ATCC 27853), Bacillus subtilis (ATCC 6633) and Candida albicans (ATCC 2091). …”
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476
On the five base quantities of nature and SI (The International System of Units)
Published 2011-01-01“…The five base quantities are re-defined in this paper by connecting them to five fundamental constants of nature (the most accurately known frequency of the hydrogen atom, the speed of light, the Planck constant, the Boltzmann constant and the elementary charge) with their numerical values fixed in accordance with their CODATA 2006 values (to be improved by further experiments).…”
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477
The influence of oxygen as impurity substitution defects on the electronic structure of binary graphene
Published 2020-09-01“…The van der Waals interaction is studied for the electronic properties of paired graphene planes of the substitution type for an impurity oxygen atom. Calculations of the «ab initio» electronic zone structure of the studied objects are made. …”
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478
Molecular Dynamics Simulations of CO2 Molecules in ZIF-11 Using Refined AMBER Force Field
Published 2013-01-01“…The site-site radial distribution functions and the molecular distribution plots simulations indicate that all hydrogen atoms are favored binding site of CO2 molecules. …”
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479
A theoretical prediction for generating isolated attosecond pulse in water window utilizing instantaneous frequency change of two-color driving laser pulse
Published 2025-02-01“…Abstract This work reports on the theoretical generation of isolated soft-X ray 106 attosecond pulse within the water window spectral region, through interacting a chirped two-color femtosecond laser pulse with a hydrogen atom. To construct this pulse, a chirped 3.5 optical cycle (9.33 fs) laser pulse with a wavelength of 800 nm and an intensity of $$5\times {10}^{14}\frac{\text{W}}{{\text{cm}}^{2}}$$ is used as the main field. …”
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480
Application of 2-Trichloromethylbenzimidazole in Analytical Chemistry: A Highly Selective Chromogenic Reagent for Thin-Layer Chromatography and Some Other Analytical Uses
Published 2012-01-01“…For azines, the chromogenic reaction was highly regioselective, since the both adjacent α-positions versus the nitrogen atom(s) must not be substituted. A TLC method of detection was developed. …”
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