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Wyniki wyszukiwania dla: quantum%20physics
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A study of the electronic states of pyrimidine by electron energy loss spectroscopy
PublikacjaThe electron energy loss spectra were measured in pyrimidine at the constant electron residual energy varied from 15 meV to 10 eV and in the scattering angle range 0–180°. The spectra were analysed applying an iteration fitting procedure to resolve the energy loss bands corresponding to excitation of the electronic states of pyrimidine. The vertical excitation energies of the singlet states of pyrimidine and of a number of the...
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Thermostability and photophysical properties of mixed-ligand carboxylate/benzimidazole Zn(II)-coordination polymers
PublikacjaThe reaction between Zn(NO3)2*6H2O or Zn(CH3COO)2*2H2O and isophthalic acid (1,3-H2bdc) in the presence of benzimidazole (Hbzim) in dimethylformamide (DMF)/ethanol (EtOH)/H2O solvent mixture at room temperature yielded two structurally different coordination polymers: [Zn2(1,3-bdc)2(Hbzim)2] (1) and [Zn2(1,3-bdc)(bzim)2] (2). (1) is a 2D-layered framework with a molecule of benzimidazole coordinated to the Zn center, whereas (2)...
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Electron collisions with methyl-substituted ethylenes: Cross section measurements and calculations for 2-methyl–2-butene and 2,3-dimethyl–2-butene
PublikacjaWe report electron-scattering cross sections determined for 2-methyl–2-butene [(H3C)HC==C(CH3)2] and 2,3-dimethyl–2-butene [(H3C)2C=C(CH3)2] molecules. Absolute grand-total cross sections (TCSs) were measured for incident electron energies in the 0.5–300 eV range, using a linear electron-transmission technique. The experimental TCS energy dependences for the both targets appear to be very similar with respect to the shape. In each...
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Valence and ionic lowest-lying electronic states of ethyl formate as studied by high-resolution vacuum ultraviolet photoabsorption, He(I) photoelectron spectroscopy, and ab initio calculations
PublikacjaThe highest resolution vacuum ultraviolet photoabsorption spectrum of ethyl formate, C2H5OCHO, yet reported is presented over the wavelength range 115.0–275.5 nm (10.75–4.5 eV) revealing several new spectral features. Valence and Rydberg transitions and their associated vibronic series, observed in the photoabsorption spectrum, have been assigned in accordance with new ab initio calculations of the vertical excitation energies...
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A first-principles study of electron attachment to the fully hydrated bromonucleobases
PublikacjaDegradation mechanism of four brominated nucleobases (BrX), potential DNA radiosensitizers, is studied in explicit water solution, using ab initio molecular dynamics. Several fs long dynamics is needed to localize an electron on the nucleobase. Produced by electron attachment BrX anion radical degrades through the bromide anion abstraction, barrier-free (purines) or with low barrier (pyrimidines), to a reactive nucleobase radical....
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Local impedance imaging of boron-doped polycrystalline diamond thin films
PublikacjaLocal impedance imaging (LII) was used to visualise surficial deviations of AC impedances in polycrystalline boron-doped diamond (BDD). The BDD thin film electrodes were deposited onto the highly doped silicon substrates via microwave plasma-enhanced CVD. The studied boron dopant concentrations, controlled by the [B]/[C] ratio in plasma, ranged from 1 × 1016 to 2 × 1021 atoms cm−3. The BDD films displayed microcrystalline structure,...
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Hysteresis curves for some periodic and aperiodic perturbations in gases
PublikacjaEvolution of sound in a medium whose properties irreversibly vary in the course of wave propagation, is studied. For example, a gas that is a particular case of a Newtonian fluid is considered. Hysteresis curves, pictorial representations of irreversible attenuation of the sound energy, in the plane of thermodynamic states are plotted. The irreversible losses in internal energy are proportional to the total attenuation and depend...
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Unusual structural properties of water within the hydration shell of hyperactive antifreeze protein
PublikacjaMany hypotheses can be encountered explaining the mechanism of action of antifreeze proteins. One widespread theory postulates that the similarity of structural properties of solvation water of antifreeze proteins to ice is crucial to the antifreeze activity of these agents. In order to investigate this problem, the structural properties of solvation water of the hyperactive antifreeze protein from Choristoneura fumiferana were...
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Observation of a new boson at a mass of 125 GeV with the CMS experiment at the LHC
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Equation of state for Eu-doped SrSi2O2N2
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Pressure effect on the zero-phonon line emission of Mn4+ in K2SiF6
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Dosimetric features of strontium orthosilicate (Sr2SiO4) doped with Eu2+
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Impact of chitosan/noble metals-based coatings on the plasmochemically activated surface of NiTi alloy
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Thermoluminescence glow curves and deconvoluted glow peaks of Ge doped flat fibers at ultra-high doses of electron radiation
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Study of impurities in alpha-Al 2 O 3 powders and crystals using EPR spectroscopy
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Potential application of pure silica optical flat fibers for radiation therapy dosimetry
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Properties of lithium aluminate for application as an OSL dosimeter
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Dielectric response of electric-field distortions of the twist-bend nematic phase for LC dimers
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Observation of the de Vries behavior in SmA* phase of a liquid crystal using polarised Raman scattering and infrared spectroscopy
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Origin of the liquid-liquid phase transition for trans-1,2-dichloroethylene observed by IR spectroscopy
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Biaxial order and a rotation of the minor director in the nematic phase of an organo-siloxane tetrapode by the electric field
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Analysis of experimental and simulated vibrational spectra for the antiferroelectric liquid crystal 12OBBB1M6
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The orientational order parameters of a dendritic liquid crystal organo-siloxane tetrapode oligomer, determined using polarized infrared spectroscopy
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Anomalous temperature dependence of layer spacing of de Vries liquid crystals: Compensation model
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The mechanism of tert-butylthiol formation via hydrosulfurization of isobutene catalyzed by superacids (HBF4, HAsF6, and HSbF6)
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Introducing various ligands into superhalogen anions reduces their electronic stabilities
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Anab initiostudy of (H3B←NH3)−—a dipole-bound anion supported by the dative charge-transfer bond in the neutral host
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The existence and stability of the anions matching the formula (M=Li, Na, K, Be, Mg, Ca, B, Al, Ga)
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The presence of two different central atoms increases the strength of Lewis-Brønsted superacids
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Double amino acid – A novel molecule enabling peptide interpenetrating structures
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Theoretical study of the dipole-bound anion (HPPH3)−
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Non-ionic and zwitterionic forms of neutral arginine – an ab initio study
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An excess electron bound to urea. III. The urea dimer as an electron trap
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Ab initio electronic structure of HCN− and HNC− dipole-bound anions and a description of electron loss upon tautomerization
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A dipole-bound dianion
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Is 9-acridinamine anion a dispersion-bound anion?
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Enormously large (approaching 14 eV!) electron binding energies of [HnFn+1]- (n= 1–5, 7, 9, 12) anions
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The correlation-bound anion of p-chloroaniline
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Superhalogen oxidizers capable of ionizing water molecules
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Attaching Be or Mg to BH3 results in the formation of BeBH3 and MgBH3 molecules capable of forming stable anions
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An excess electron bound to urea. I. Canonical and zwitterionic tautomers
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The IP vs. VDE competition as a key factor determining the stability of the MgBX5 (X = F, Cl) compounds
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The existence and gas phase acidity of the HAlnF3n+1 superacids (n=1–4)
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Stable anions formed by organic molecules substituted with superhalogen functional groups
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The acid strength of the HF/AlX3 Lewis-Brønsted complexes involving various electron acceptors as ligands
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Cationic and anionic daughters of AlOH and GaOH. An ab initio study
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A strongly bound OF3- anion and its unstable parent neutral OF3 species
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Is the p-chloroaniline anion bound almost entirely by correlation?
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Is hydrogen capable of playing a central atom role in superhalogen anions?
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Shape resonance of H[sub 2][sup −] anion stabilized in a molecular trap
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