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    Wyświetlanie 1-36 z 36
    Tytuł:
    Gniew Jezusa pod Cezareą Filipową. Studium egzegetyczne Mk 8,31-33
    The Wrath of Jesus at Caesarea Philippi. An Exegetical Study of Mk 8:31-33
    Autorzy:
    Bąk, Tomasz Bartłomiej
    Powiązania:
    https://bibliotekanauki.pl/articles/1044625.pdf
    Data publikacji:
    2018-03-05
    Wydawca:
    Katolicki Uniwersytet Lubelski Jana Pawła II
    Tematy:
    Jezusowa nagana
    Mk 8
    31-33
    Piotrowa nagana
    powołanie Piotra
    szatan
    Jesus’ rebuke
    Mark 8
    Peter’s rebuke
    Peter’s calling
    Satan
    Opis:
    Perykopa Mk 8,31-33 bez wątpienia należy do najtrudniejszych fragmentów Ewangelii. Do Apostoła Piotra, który wcześniej wyznał swoją wiarę w Jezusa jako Mesjasza (w. 29), odnoszą się słowa: „Zejdź mi z oczu szatanie” (w. 33). Niniejszy artykuł próbuje pokazać, iż Jezus w swojej naganie nie zamierza odrzucać Piotra, nawet jeśli czasownik ἐπιτιμάω bywa zazwyczaj używany w kontekście wyrzucania złych duchów. Celem wydarzenia w Cezarei Filipowej jest ponowne wezwanie Apostoła, tym razem do bezwarunkowego pójścia za Jezusem. Jezusowe słowa: ὕπαγε ὀπίσω μου (w. 33) stanowią kolejny etap powołania Piotra, opisanego już na początku (1,16-18) i na końcu (16,7) Ewangelii według św. Marka.
    The pericope of Mk 8:31-33 undoubtedly ranks among the most complex fragments in the entire Gospel. The Apostle Peter, who had already confessed his faith in Jesus as the Messiah (v. 29), is referred to with the following words: “Get behind Me, Satan” (v. 33). This article attempts to show that Jesus, in his rebuke of his apostle (even though the verb ἐπιτιμάω is consistently used in the Gospel to describe the casting out of unclean spirits) does not intend to condemn or reject Peter. Instead, the meaning behind the scene that played out in Caesarea Philippi is yet another call for Peter to follow Jesus unconditionally. The words of Jesus: ὕπαγε ὀπίσω μου (v. 33) bring to mind Peter’s calling, described both at the beginning (1:16-18) and at the end (16:7) of the Gospel of Mark.
    Źródło:
    Verbum Vitae; 2018, 33; 155-178
    1644-8561
    2451-280X
    Pojawia się w:
    Verbum Vitae
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Spectroscopy of 2-aminopurine: An MCSCF Study
    Autorzy:
    Rachofsky, E. L.
    Ross, J. B. A.
    Krauss, M.
    Osman, R.
    Powiązania:
    https://bibliotekanauki.pl/articles/1992724.pdf
    Data publikacji:
    1998-11
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    31.15.Ar
    31.50.+w
    33.20.Lg
    33.50.Dq
    Opis:
    2-aminopurine is a highly fluorescent isomer of adenine that can be incorporated into DNA as a probe of structure, dynamics, and protein-DNA interactions. Interpretation of the fluorescence of 2-aminopurine in DNA requires a model of the electronic structure of this fluorophore in its ground and excited states. To this end, electronic structures and energies of the ground and lowest singlet excited states of 2-amino-9-methylpurine were calculated by the multiconfiguration self-consistent field method supplemented by multiconfiguration perturbation theory. The molecular geometry was optimized in both of these electronic states to permit investigation of both electronic excitation and fluorescence emission. The predicted energies and transition dipoles were in good agreement with experiment. The permanent molecular dipole of 2-amino-9-methylpurine increased upon excitation, suggesting that both the absorption and emission spectra should shift to slightly lower energies in polar solvents. The anomalous spectral shifts observed in water suggest that 2-aminopurine undergoes hydrogen bonding that better stabilizes the ground state than the excited state. From the calculated electrostatic potentials of these two states, the position at which this hydrogen bond forms was predicted. These results form a basis for understanding the excited states and possible intermolecular interactions of 2-aminopurine in DNA.
    Źródło:
    Acta Physica Polonica A; 1998, 94, 5-6; 735-748
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Investigation of the Spin-Orbit Perturbation of the 6¹Π State in KLi Molecule
    Autorzy:
    Jastrzebski, W.
    Kowalczyk, P.
    Powiązania:
    https://bibliotekanauki.pl/articles/1812037.pdf
    Data publikacji:
    2008-10
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    33.15.-e
    33.20.Vq
    31.50.Df
    31.50.Gh
    Opis:
    Strong perturbation in the 6¹Π state of the ³⁹K⁷Li molecule is analysed. The perturbing state is identified as 3³∆ on the basis of experimental observations aided by comparison with recent theoretical calculations. Possibilities of accessing triplet states of KLi via the 6¹Π∼ 3³∆ perturbation are discussed.
    Źródło:
    Acta Physica Polonica A; 2008, 114, 4; 731-738
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Excitation Energy Transport between the Ionic Forms of Rhodamine B in Viscous Solutions
    Autorzy:
    Bojarski, P.
    Kułak, L.
    Powiązania:
    https://bibliotekanauki.pl/articles/1992720.pdf
    Data publikacji:
    1998-11
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    31.15.-p
    33.50.-j
    Opis:
    Excitation energy transport between zwitterion and cationic form of rhodamine B in glycerol-ethanol mixture is studied. Concentration course of the quantum yield exhibits a rapid drop at intermediate concentrations, where no dimers are formed contrary to the results of measurements carried out for solutions with a trace amount of acid or base in which single ionic forms are adopted. To describe properly such concentration behavior of the quantum yield forward and reverse, nonradiative excitation energy transport between the forms is considered. This task is performed by comparing experimental data with Monte-Carlo simulations.
    Źródło:
    Acta Physica Polonica A; 1998, 94, 5-6; 725-734
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Natural Bond Orbital (NBO) Population Analysis of 1-Azanapthalene-8-ol
    Autorzy:
    Gangadharan, Rubarani
    Sampath Krishnan, S.
    Powiązania:
    https://bibliotekanauki.pl/articles/1205799.pdf
    Data publikacji:
    2014-01
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    33.20.Tp
    31.15.Ae
    31.15.Ar
    31.15.Ew
    Opis:
    The molecular structure of 1-azanapthalene-8-ol was calculated by the B3LYP density functional model with 6-31G(d,p) basis set by Gaussian program. The results from natural bond orbital analysis have been analyzed in terms of the hybridization of atoms and the electronic structure of the title molecule. The stability of the molecule arising from hyper conjugative interactions, charge delocalization has been analyzed using natural bond orbital analysis. The electron density based local reactivity descriptors such as the Fukui functions were calculated. The dipole moment (μ) and polarizability (α), anisotropy polarizability (Δ α) and first order hyperpolarizability $(β_\text{tot})$ of the molecule have been reported.
    Źródło:
    Acta Physica Polonica A; 2014, 125, 1; 18-22
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Identification of structural and spectral features of 2-amino 4-chlorobenzoic acid and 4-amino 2-chlorobenzoic acid: A comparative experimental and DFT study
    Autorzy:
    Kaya Kinaytürk, N.
    Oturak, H.
    Powiązania:
    https://bibliotekanauki.pl/articles/1065713.pdf
    Data publikacji:
    2016-07
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    31.15.E
    33.20.Lg
    33.20.Ea
    Opis:
    The structure and spectroscopic data of the molecules in the ground state were calculated using density functional theory employing B3LYP/6-311++G(d,p) basis set. The dipol moment, linear polarizability and first hyperpolarizability values were also computed using the same basis set. A study on the electronic properties, such as HOMO-LUMO energies, were performed by time-dependent density functional theory approach. A detailed description of spectroscopic behaviour of compounds was given based on the comparison of experimental data and theoretical computations.
    Źródło:
    Acta Physica Polonica A; 2016, 130, 1; 276-281
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Electronic Spectra of Radical Cations and their Correlation with Photoelectron Spectra. VI. A Reinvestigation of Two-, Three-, and Four-Ring Condensed Aromatics
    Autorzy:
    Khan, Z. H.
    Powiązania:
    https://bibliotekanauki.pl/articles/1924271.pdf
    Data publikacji:
    1992-12
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    33.20.-t
    33.60.-q
    31.20.-d
    Opis:
    Earlier interpretations of the electronic spectra of two-, three-, and four-ring condensed aromatic hydrocarbon radical cations are reexamined in the light of the UV photoelectron spectroscopic data for their neutral precursors and improved open-shell self-consistent field configuration interaction (SCF-CI) calculations. From the electronic transition energies for some 33 aromatic radical cations obtained from electronic absorption spectra (EAS) and those inferred from photoelectron spectra (PES), the following correlation is found between the two types of spectroscopies: E$\text{}_{EAS}$ = (0.23 ± 0.20) + (0.98 ± 0.01)E$\text{}_{PES}$. The slope of this line is very close to unity which shows that the matrix shift on going from the solid phase (electronic spectrum) to the vapour phase (PE spectrum) is almost negligible and that there is no appreciable change in the geometry of the molecules on ionization.
    Źródło:
    Acta Physica Polonica A; 1992, 82, 6; 937-955
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Polarisation Labelling Spectroscopy of Highly Excited (Rydberg) $\text{}^{1}$Π$\text{}_{u}$ States in Potassium Dimer
    Autorzy:
    Jastrzebski, W.
    Kowalczyk, P.
    Powiązania:
    https://bibliotekanauki.pl/articles/2043661.pdf
    Data publikacji:
    2005-09
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    31.50.Df
    33.20.Lg
    33.20.Vq
    Opis:
    Two previously unknown electronic states of K$\text{}_{2}$, both of $\text{}^{1}$Π$\text{}_{u}$ symmetry, have been observed by polarisation labelling spectroscopy technique in the energy region of 31500-33100 cm$\text{}^{-1}$ above the bottom of the molecular ground state potential well. Major molecular constants have been determined for these states and the potential curves have been constructed using the Rydberg-Klein-Rees method. The correlation of the observed states with atomic limits is discussed.
    Źródło:
    Acta Physica Polonica A; 2005, 108, 3; 457-465
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Survey of the Excited State Dissociation οf Gas-Phase Bromine Monochloride in the Visible-Near UV Wavelength Region
    Autorzy:
    Zhang, D.
    Powiązania:
    https://bibliotekanauki.pl/articles/1538637.pdf
    Data publikacji:
    2010-03
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    31.15.Qg
    33.20.Kf
    31.50.Gh
    Opis:
    The spectroscopic transitions and photoabsorption/dissociation processes of bromine monochloride (BrCl) via several low-lying covalently bound electronic states and repulsive states have been investigated by performing electronic structure calculations and wave packet simulations of nuclear motion. The absorption spectra for 52-electron singlet systems are obtained by employing time-dependent propagation methods or the real-time propagation of the time-dependent Schrödinger equations in the adiabatically exact approximation. Based on the elastic scattering calculations, the results of angular distributions of the products of photodissociation of BrCl molecules are examined on two aspects: (1) the nature of the state that is prepared by excitation from a bound level into a continuum, and (2) under avoided crossing cases, the influences of nonadiabatic coupling processes on the fragmentation process are evaluated by virtue of a semiclassical Landau-Zener model, which treats an avoided crossing between two states of a given nature and evaluates a nonadiabatic effect relevant to the molecule during photodissociation. The model qualitatively reproduces the key aspects of the full processes related to the transfer of dissociating flux between states of 0+ symmetry, indicating that the proposed coupling scheme is generally correct.
    Źródło:
    Acta Physica Polonica A; 2010, 117, 3; 457-465
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Structure and Vibrational Studies of ±1-(1H-Benzoimidazol-2-YL) Ethanol, Using DFT Method
    Autorzy:
    Oturak, H.
    Kaya Kinaytürk, N.
    Şahın, G.
    Powiązania:
    https://bibliotekanauki.pl/articles/1402488.pdf
    Data publikacji:
    2015-08
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    33.20.Tp
    31.15.A-
    31.15.E-
    Opis:
    In this study, conformational analysis and quantum chemical calculations of ±1-(1H-Benzoimidazol-2-YL) Ethanol were carried out. The geometric structure, infrared intensities, UV-VIS spectrum, HOMO-LUMO energies, $\text{}^1H$ and $\text{}^{13}C$ nuclear magnetic resonance (NMR) chemical shifts were calculated by using the density functional method (DFT/B3LYP) with 6-311++G(d,p) basis set. The vibrational studies were interpreted in terms of potential energy distribution (PED). Finally, calculated values were compared with the experimental ones.
    Źródło:
    Acta Physica Polonica A; 2015, 128, 2B; B-417-B-421
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Theoretical Investigation of Electronic Structure and Vibrational Spectra of Conformers of Trinitrotoluene and Trinitrophenol
    Autorzy:
    Kleiza, V.
    Bekešienė, S.
    Powiązania:
    https://bibliotekanauki.pl/articles/1505581.pdf
    Data publikacji:
    2011-02
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    31.15.A-
    33.20.Tp
    Opis:
    The precise knowledge of vibrational spectra would allow detecting small amounts of these materials by means of spectroscopic methods. The results of the investigation of the vibrational spectra of trinitrotoluene and 2,4,6-trinitrophenol molecules were published in our previous paper, where we investigated the normal state of the molecules. In this paper we present the investigation results of the trinitrotoluene and trinitrophenol molecules conformer's with $C_1$ and Cs symmetry. We analyzed the potential surfaces and vibration spectra by means of ab initio quantum chemical calculations using basis of Gaussian functions and GAMESS package. Calculations were performed at the Hartree-Fock level and with account of the electron correlation. Personal computers clusters necessary for such investigations were made and SCore parallel environment was used.
    Źródło:
    Acta Physica Polonica A; 2011, 119, 2; 189-192
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Emission of Acridine and its Aggregates Isolated in the Neon Matrix
    Autorzy:
    Prochorow, J.
    Kozankiewicz, B.
    Dongo Gemi, Bango Bango
    Morawski, O.
    Powiązania:
    https://bibliotekanauki.pl/articles/1992729.pdf
    Data publikacji:
    1998-11
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    31.50.+w
    33.50.-j
    Opis:
    The results of experimental studies of fluorescence and phosphorescence of acridine in the low-temperature inert neon matrix, at 7 K, are reported. It is found that the low-temperature inert matrix of neon affects the energy levels of acridine molecules very weakly even as compared with nonpolar (aprotic) and non-reactive solvent (e.g. hexane) and that there are different sites for acridine molecules in the neon matrix. However, the observed fluorescence spectra are strongly dependent on the excitation wavelength and besides the different (monomer) sites other emitting species are also contributing to the observed fluorescence emission of acridine in the neon matrix. Clear-cut evidence of the formation of singlet excimers of acridine in the neon matrix demonstrates itself as a very broad and structureless fluorescence spectrum with a relatively large shift from the origin of monomer (site) fluorescence which is characterized by a very distinct vibrational structure. The phosphorescence emission was observed only for the monomers. The observed differences in the low-energy part of excitation spectra of phosphorescence and fluorescence are discussed in terms of the close-lying excited singlet states of n,π* and π,π* character (mixed by the vibronic coupling) and tentatively interpreted as due to the formation of resonance acridine dimers. Their fluorescence spectrum is slightly shifted toward lower energies from the origin of monomer (site) fluorescence.
    Źródło:
    Acta Physica Polonica A; 1998, 94, 5-6; 749-760
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Excited States in Solid Phenothiazine as Studied by Electroabsorption Spectroscopy
    Autorzy:
    Kalinowski, J.
    Stampor, W.
    Fattori, V.
    Di Marco, P.
    Powiązania:
    https://bibliotekanauki.pl/articles/1933431.pdf
    Data publikacji:
    1995-06
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    31.50.+w
    31.70.Dk
    31.70.Ks
    33.55.Be
    Opis:
    Electric field modulated absorption spectra of vapor deposited layers of phenothiazine, explained in terms of a quadratic Stark effect, indicate modification of intramolecular (Frenkel-type) excitons by charge transfer transitions throughout UVIS absorption spectrum in the range 250-450 nm. The charge transfer character of the excited states appears at energies characteristic of various oxidation products of phenothiazine as identified from a spectroscopic study of photochemical air oxidation, performed on solution and solid film samples of this compound. The charge transfer transitions are ascribed to electron transfer between the molecules of phenothiazine and their oxidized species created in the samples during preparation and handling procedures.
    Źródło:
    Acta Physica Polonica A; 1995, 87, 6; 953-964
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Theoretical Investigation of N-Methyl-N-(4-nitrobenzylidene) pyrazine-2-carbohydrazide: Conformational Study, NBO Analysis, Molecular Structure and NMR Spectra
    Autorzy:
    Günay, N.
    Tamer, Ö.
    Kuzalic, D.
    Avcı, D.
    Atalay, Y.
    Powiązania:
    https://bibliotekanauki.pl/articles/1398702.pdf
    Data publikacji:
    2015-03
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    31.15.A-
    31.15.ae
    31.15.E-
    33.25.+k
    31.50.Bc
    Opis:
    The crystal structure determination of the methylated pyrazine-2-carbohydrazide derivative, namely N-methyl-N'-(4-nitrobenzylidene)pyrazine-2-carbohydrazide were optimized to obtain its molecular geometric structure and electronic structures at the Hartree-Fock and density functional theory levels (B3LYP) with 6-311G(d,p) and 6-311++G(d,p) basis sets, using Gaussian 09W programme. The $\text{}^{1}H$ and $\text{}^{13}C$ nuclear magnetic resonance chemical shifts of the title molecule were calculated by using the gauge independent atomic orbital, continuous set of gauge transformations and individual gauges for atoms in molecules methods and were also compared with experimental values. The electronic properties high occupied and low unoccupied molecular orbitals energies were calculated and analyzed. Potential energy surface scan, natural population analysis and Mulliken atomic charges were investigated using theoretical calculations. A detailed molecular picture and intermolecular interactions arising from hyperconjugative interactions and charge delocalization of the molecule were analyzed using natural bond orbital analysis.
    Źródło:
    Acta Physica Polonica A; 2015, 127, 3; 701-710
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Theoretical studies of molecular structures, infrared spectra, NBO and NLO properties of some novel 5-arylazo-6-hydroxy-4-phenyl-3-cyano-2-pyridone dyes
    Autorzy:
    Esme, A.
    Sagdinc, S.
    Powiązania:
    https://bibliotekanauki.pl/articles/1058854.pdf
    Data publikacji:
    2016-12
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    31.15.E-
    33.20.Ea
    31.50.Bc
    42.65.-k
    Opis:
    The optimized geometrical structures, infrared spectra, molecular electrostatic potential, natural bond orbital and nonlinear optical properties of 5-phenylazo-6-hydroxy-4-phenyl-3-cyano-2-pyridoine (1) and 5-(4-bromophenylazo)-6-hydroxy-4-phenyl-3-cyano-2-pyridoine (2) dyes with a detailed study on the azo-hydrazone tautomerism in the ground state have been investigated by density functional theory using B3LYP functional with 6-31G(d,p) basis set. Vibrational modes are assigned with the help of vibrational energy distribution analysis program. Highest occupied molecular orbital and lowest unoccupied molecular orbital energies of the (1) and (2) compounds with azo and hydrazone forms were calculated with the same method and basis set. Molecular parameters like global hardness (η), global softness (σ) and electronegativity (χ) were calculated with the results obtained from the highest occupied and lowest unoccupied molecular orbital energies. Nonlinear optical parameters (mean polarizability (⟨α⟩), the anisotropy of the polarizability (⟨Δα⟩) and the mean first-order hyperpolarizability (⟨β⟩)) of the title compounds were investigated theoretically. The atomic charges, electronic exchange interaction, and charge delocalization of the molecules have been studied by natural bond orbital analysis.
    Źródło:
    Acta Physica Polonica A; 2016, 130, 6; 1273-1287
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Proton Transfer in Strong Hydrogen Bonds Revealed by Infrared Spectra - Correlations between Structure and Spectra for the BrH : $NH_3$ Complex
    Autorzy:
    Szczepaniak, K.
    Person, W.
    Powiązania:
    https://bibliotekanauki.pl/articles/1813986.pdf
    Data publikacji:
    2007-12
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    82.30.Rs
    33.20.Ea
    33.70.Fd
    31.15.Ew
    33.20.Tp
    Opis:
    Our scope is to achieve an understanding of the relation between the infrared spectrum and structure of a strong hydrogen-bonded complex, BrH : $NH_3$, and how and why this relationship is affected by the environment surrounding the complex. A series of DFT/B3LYP/6-31G(d,p) calculations was carried out for this system to obtain its structure and spectrum in different dielectric fields characterized by their relative permittivities. Changes in structure and spectrum (both frequencies and intensities) as the relative permittivity changes are explored. Calculations of spectra are made first under the harmonic approximation. In the next step the effect of anharmonicity was estimated for several different dielectric fields. The calculated anharmonic spectrum (for $ε_r$ = 1.6) is compared with the experimentally observed infrared spectrum of the complex isolated in an Ar matrix at 10 K, obtained in our laboratory. The calculated frequencies and relative intensities for all normal modes agree with the corresponding experimental data surprisingly well. The potential usefulness of structure-spectra correlations is explored.
    Źródło:
    Acta Physica Polonica A; 2007, 112, S; S-19-S-38
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Experimental and Quantum Chemical Calculations of 2-Amino-4,5,6,7-Tetrahydrobenzo[b]Thiophene-3-Carbonitrile
    Autorzy:
    Oturak, H.
    Kaya Kinaytürk, N.
    Topuz, M.
    Kutlu, N.
    Kaynaker, E.
    Talıp, P.
    Sert, Y.
    Powiązania:
    https://bibliotekanauki.pl/articles/1031126.pdf
    Data publikacji:
    2017-09
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    31.15.E-
    33.20.Ea
    33.20.Tp
    33.20.Fb
    33.20.Lg
    33.20.Bx
    Opis:
    Vibrational frequencies of 2-Amino-4,5,6,7-Tetrahydrobenzo[b]Thiophene-3-Carbonitrile were calculated using density functional (DFT/B3YLP) method with 6-311++G(d,p) basis set by Gaussian 09. The assignments of the vibrational frequencies have been done by potential energy distribution analysis, using VEDA 4 software. The density functional theory and time dependent density functional theory methods have been used to study the electronic properties of 2-Amino-4,5,6,7-Tetrahydrobenzo[b]Thiophene-3-Carbonitrile. Isotropic chemical shifts were calculated using the gauge-invariant atomic orbital method. All computed spectroscopic properties were compared with experimental ones. The simulated spectra of the molecule show excellent agreement with the experimental spectra.
    Źródło:
    Acta Physica Polonica A; 2017, 132, 3; 1192-1199
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Photoinduced Electron Transfer in Jet Cooled Molecular Complexes
    Autorzy:
    Piuzzi, F.
    Uridat, D.
    Dimicoli, I.
    Mons, M.
    Tramer, A.
    LeBarbu, K.
    Lahmani, F.
    Zehnacker-Rentien, A.
    Powiązania:
    https://bibliotekanauki.pl/articles/1994237.pdf
    Data publikacji:
    1999-01
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    31.50.+w
    32.30.-r
    33.15.-e
    33.20.-t
    Opis:
    Exciplex and excimer formation have been probed in several jet cooled complexes using mass selective two-photon ionisation and fluorescence excitation spectroscopy as well as ground state depletion spectroscopy (hole burning): (i) In the anthracene-dimethyl-ortho-toluidine system, it has been found that the ionisation step takes place with a much higher efficiency from the charge transfer state responsible for the exciplex emission than from the locally excited state giving rise to the resonant fluorescence. (ii) The dimer, trimer, and higher clusters of anthracene all show only excimer emission. When compared to the dimer, the trimer exhibits a peculiar behaviour (structured fluorescence excitation and hole burning spectra, short lifetime and low ionisation efficiency) which has been related to a significant locally excited character of the initially prepared state of the species excited state. (iii) The influence of an intermolecular hydrogen bond on the electron transfer process has been studied in the 2,2,2-trifluoro-1-(9-anthryl)ethanol- dimethylaniline system. A threshold for exciplex formation higher than in the case of the anthracene-dimethylaniline complex is observed.
    Źródło:
    Acta Physica Polonica A; 1999, 95, 1; 121-135
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Fluorescence Spectra of 7,8-Benzoquinoline Isolated in the Supersonic Jet Expansion - An Ab Initio Analysis
    Autorzy:
    Deperasińska, I.
    Prochorow, J.
    Stepanenko, Y.
    Powiązania:
    https://bibliotekanauki.pl/articles/2038381.pdf
    Data publikacji:
    2004-10
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    82.20.Wt
    31.15.Ar
    33.20.Tp
    Opis:
    The optimized equilibrium geometry of 7,8-benzoquinoline molecule in its first excited, S$\text{}_{1}$, singlet state was computed with the use of ab initio RCIS/6-31G(d) method. It was found that the electronic transition to the first excited state in 7,8-benzoquinoline is not confined to the neighborhood of nitrogen atom, but is delocalized over entire aromatic rings system, much alike in the molecule of phenanthrene. With the optimized geometry of the ground and excited state of the molecule, the frequencies of the vibrational fundamental modes were computed, together with their displacement parameters (geometry changes of vibrations between the excited and the ground state). These frequencies are in good agreement with vibrational frequencies present in the fluorescence spectrum of 7,8-benzoquinoline observed recently under jet-cooling conditions in supersonic beam expansion. In comparison to the fluorescence spectrum of phenanthrene, the calculated, as well as experimental fluorescence spectra of 7,8-benzoquinoline contain much more vibrational features, and this increased vibronic activity is related to the symmetry break caused by the introduction of N-heteroatom into the aromatic ring system of phenanthrene.
    Źródło:
    Acta Physica Polonica A; 2004, 106, 4; 535-545
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Triplet States and Triplet Excitons in Chemically Mixed Crystals of Acridine with Anthracene
    Autorzy:
    Morawski, O.
    Prochorow, J.
    Powiązania:
    https://bibliotekanauki.pl/articles/1933611.pdf
    Data publikacji:
    1995-09
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    31.70.Ks
    33.50.Dq
    71.35.+z
    Opis:
    Spectral and temporal characteristics and their temperature dependence for the long-lived (phosphorescence and delayed fluorescence) emission of chemically mixed crystals of acridine II (host) with anthracene (guest) were studied under conditions of various spectral resolutions and different modes of excitation. The energy of 0-0 transitions of exciton band and of trap states have been determined and the nature and energy scheme of the triplet states of crystals have been established. The complex arrangement of host molecules into two different pairs in the crystal structure of acridine II is revealed in the energetic "doublet" structure of the trap states for both, the shallow and the deep traps (of acridine and of anthracene origin, respectively). Migration of triplet excitation energy in these chemically mixed crystals is controlled predominantly by the triplet-triplet annihilation of excitons (either heterogeneous or homogeneous) almost in the whole temperature range. The formation of triplet excimers of acridine was definitely ruled out.
    Źródło:
    Acta Physica Polonica A; 1995, 88, 3; 469-481
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Fluorescence Spectra of Phenanthridine Isolated in the Supersonic Jet Expansion - An Ab Initio Analysis
    Autorzy:
    Deperasińska, I.
    Prochorow, J.
    Stepanenko, Y.
    Powiązania:
    https://bibliotekanauki.pl/articles/2044575.pdf
    Data publikacji:
    2005-12
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    82.20.Wt
    31.15.Ar
    33.20.Tp
    Opis:
    Following the analysis of laser induced fluorescence spectrum of 7,8-benzoquinoline molecule, observed under conditions of isolation in the supersonic jet expansion, the ab initio analysis of laser induced fluorescence spectrum of phenanthridine, observed under the same experimental conditions, was performed. This analysis included: optimization of equilibrium geometry of phenanthridine in its first excited S$\text{}_{1}$ singlet state and computations of the frequencies of vibrational fundamental modes together with their geometry changes between the excited and the ground state. Comparison of the results of calculations with experimental data revealed their good agreement and an increase in the vibrational activity in the fluorescence spectrum in comparison to fluorescence spectrum of phenanthrene molecule (which is a parent aromatic hydrocarbon of phenanthridine and of 7,8-benzoquinoline). Such an increase in vibrational activity in the fluorescence spectrum was earlier observed also for 7,8-benzoquinoline molecule. Present analysis shows that this effect is due to molecular symmetry reduction caused by the substitution of nitrogen atom into the aromatic rings system of phenanthrene, as well as to the changes of equilibrium structure between the ground and excited states.
    Źródło:
    Acta Physica Polonica A; 2005, 108, 6; 1005-1019
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Spectral Investigations of Fullerene-Porphyrin Complexes
    Autorzy:
    Barszcz, B.
    Bogucki, A.
    Laskowska, B.
    Ion, R.
    Graja, A.
    Powiązania:
    https://bibliotekanauki.pl/articles/1813989.pdf
    Data publikacji:
    2007-12
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    33.20.-t
    33.20.Ea
    33.20.Fb
    33.20.Kf
    33.20.Tp
    36.40.-c
    31.15.Ar
    33.15.Bh
    Opis:
    Spectral investigations of someμ-oxo-dimer complexes of trivalent metals (Mn, Fe) with two different ligands: tetraphenylporphyrin and tetranaphthylporphyrin (TNP), and fullerene ($C_{60}$ and $C_{70}$) complexes withμ-oxobis[5,10,15,20-tetraarylporphyrinatometal (III)] $(TXP-M)_2O$ dimer, where M = Fe, Mn and X = phenyl or naphthyl, are presented. Discussion of the main electronic and vibrational bands observed in the UV-Vis-IR and Raman spectra of both classes of fullerene-porphyrin systems is given. Experimental data are completed with the quantum chemical calculations of $MnTNP^+$ component.
    Źródło:
    Acta Physica Polonica A; 2007, 112, S; S-143-S-152
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Linear and Hyperpolarizabilities of Spiropyran and Derivatives
    Autorzy:
    Sabra, M.
    Powiązania:
    https://bibliotekanauki.pl/articles/1808098.pdf
    Data publikacji:
    2009-03
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    31.15.A-
    32.10.Dk
    33.15.Kr
    Opis:
    The geometry of spiropyran molecule and its derivatives was found using quasi-Newton methods, Broyden-Fletcher-Goldfarb-Shanno technique. Then ab initio quantum chemical methods were applied to calculate the ground state energies of the closed and open forms of spiropyran for different basis sets. The frequency dependent linear polarizability of spiropyran and derivatives were obtained and plotted. The found absorption peaks are different for the closed and the open structures of the spiropyran molecule.
    Źródło:
    Acta Physica Polonica A; 2009, 115, 3; 647-652
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Experimental and Theoretical Spectroscopic Studies on Selected Igepals
    Autorzy:
    Pasterna, G.
    Kupka, T.
    Wrzalik, R.
    Pasterny, K.
    Blicharski, J. S.
    Powiązania:
    https://bibliotekanauki.pl/articles/2014397.pdf
    Data publikacji:
    2000-11
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    33.20.Ea
    32.30.Dx
    31.15.Ar
    Opis:
    Several nonionic igepals characterized by the formula (C$\text{}_{m}$H$\text{}_{2m+1}$)-C$\text{}_{6}$H$\text{}_{4}$ (OCH$\text{}_{2}$CH$\text{}_{2}$)$\text{}_{n}$OH were investigated by high resolution NMR and IR spectroscopy. Gauge invariant atomic orbital density functional theory NMR calculations on model molecules in the gas phase additionally supported the assignment of experimental carbon signals. Different orientations of individual sub-units of an aliphatic chain relative to external magnetic field and trans-gauche transitions were assumed to explain complex patterns of carbon spectra in the aliphatic region of igepals with linear alkyl chain.
    Źródło:
    Acta Physica Polonica A; 2000, 98, 5; 651-654
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Picosecond Transient Absorption of Xanthene Dyes
    Autorzy:
    Berndt, O.
    Bandt, F.
    Eichwurzel, I.
    Stiel, H.
    Powiązania:
    https://bibliotekanauki.pl/articles/1994630.pdf
    Data publikacji:
    1999-02
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    31.50.+w
    33.50.-j
    78.47.+p
    Opis:
    After one- and two-colour ps-excitation the transient absorption of rose bengal, erythrosin B and eosin Y in the spectral range from 450 to 670 nm was probed using picosecond continuum pulses generated in H$\text{}_{2}$O-D$\text{}_{2}$O mixture. Our experiments showed for all dyes a high T$\text{}_{1}$-T$\text{}_{n}$ absorption signal above 590 nm where no ground state absorption occurs. These excited triplet states can be effectively populated by a delayed second pump pulse. Their properties with special attention to reverse intersystem crossing processes from T$\text{}_{n}$ to S$\text{}_{x}$ are discussed.
    Źródło:
    Acta Physica Polonica A; 1999, 95, 2; 207-220
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Calculations of Molecular Structures and Processes Important for Hydrogen Behaviour in the Li-Amide/Imide System
    Autorzy:
    Ivanović, N.
    Radisavljević, I.
    Novaković, N.
    Manasijević, M.
    Colognesi, D.
    Powiązania:
    https://bibliotekanauki.pl/articles/1503321.pdf
    Data publikacji:
    2011-08
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    31.15.ae
    33.15.Dj
    33.15.Mt
    88.30.rd
    71.20.Ps
    Opis:
    Lithium amide $(LiNH_{2})$ and imide $(Li_{2}NH)$ have recently attracted much attention as part of the Li-H-N system suitable for hydrogen (H) storage applications. However, the ground-state imide structure is still unknown with at least six candidate structures, with ground state energies all very close to one another. In order to discover possible pathways for the imide-amide-imide transformations during the hydrogen absorption/desorption cycles, we have examined the molecular structures involved (along with their changes during these processes) using ab-initio calculations based on the linear combination of atomic orbitals (LCAO). In addition, the influence of Li substitution by some other elements of interest on the system behaviour was investigated. These analyses were complemented by density functional theory (DFT) calculations of several crystal structures appearing in the processes. In this way a thorough insight into the structures and the processes taking place at atomic level is attained, providing a starting point for understanding these complicated systems, and the mechanisms governing their transformations.
    Źródło:
    Acta Physica Polonica A; 2011, 120, 2; 242-245
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Structural and Spectroscopic Characterization of 1-(5-Bromothiophen-2-yl)-3-(4-nitrophenyl)prop-2-en-1-one: An Analysis of Electronic and NLO Properties
    Autorzy:
    Tamer, Ö.
    Avcı, D.
    Atalay, Y.
    Powiązania:
    https://bibliotekanauki.pl/articles/1204951.pdf
    Data publikacji:
    2014-08
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    31.15.E-
    33.20.Ea
    33.20.Lg
    42.65.-k
    67.80.Jd
    Opis:
    The molecular structure of 1-(5-bromothiophen-2-yl)-3-(4-nitrophenyl)prop-2-en-1-one with $C_{13}H_8BrNO_3S$ empirical formula was simulated using B3LYP and CAM-B3LYP levels of density functional theory. After BTNP was optimized on the ground state, its characterization was enhanced via IR, NMR and UV-vis spectroscopies. Conformational analysis was performed based on B3LYP level so as to find the stable conformers of BTNP. Electronic transitions were calculated, and the important contributions from the molecular orbitals to the electronic transitions were investigated. HOMO and LUMO energies were calculated, and obtained energies displayed that charge transfer occurs in BTNP. It was displayed that BTNP is an efficient NLO material due to the coplanar of phenyl-nitro group and carbonyl group. NBO analysis also proved that charge transfer, conjugative interactions and intramolecular hydrogen bonding interactions occur through BTNP.
    Źródło:
    Acta Physica Polonica A; 2014, 126, 3; 679-687
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Electric Dipole Moments of Acetone and of Acetic Acid Measured in Supersonic Expansion
    Autorzy:
    Dorosh, O.
    Kisiel, Z.
    Powiązania:
    https://bibliotekanauki.pl/articles/1814018.pdf
    Data publikacji:
    2007-12
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    31.15.Ar
    32.10.Dk
    32.30.Bv
    32.60.+i
    33.15.Kr
    33.1.Mt
    33.20.Bx
    33.20.Sn
    Opis:
    Precise values for electric dipole moments of isolated acetone and acetic acid molecules were determined from the Stark effect measurements made on lowest J rotational transitions at conditions of supersonic expansion. The new results are $μ_{tot} =μ_b$ =2.9345(22) D for acetone from measurements on the $1_{11}$← $1_{01}$ transition, and $μ_a$ =0.8631(8), $μ_b$ =1.4345(11), $μ_{tot}$ =1.6741(10) D for acetic acid, from measurements on $1_{11}$ ← $0_{00}$ and $1_{01}$ ← $0_{00}$ transitions. A comparison with previous determinations and with results of quantum chemical calculations is presented.
    Źródło:
    Acta Physica Polonica A; 2007, 112, S; S-95-S-104
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Excited-State Equilibration and the Fluorescence-Absorption Ratio
    Autorzy:
    Knox, R. S.
    Powiązania:
    https://bibliotekanauki.pl/articles/1993700.pdf
    Data publikacji:
    1999-01
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    33.70.Jg
    32.50.+d
    31.70.Hq
    42.50.Md
    Opis:
    In any complex system at temperature T the absorption cross-section and fluorescent power at a given photon energy are connected by a simple relation if the system is in thermal equilibrium while occupying one particular electronic excited state. Although this situation is impossible in principle because of finite excited-state lifetimes, it is often approximated to the extent that the simple relation, which is expressed as a linear function of energy with slope -1/k_{B}T, holds in a variety of cases. (The usual symbols for Boltzmann's constant and absolute temperature are used.) Observed deviations are of two principal kinds: a slope characteristic of some temperature T* other than ambient, and departures from a single pure straight line. The latter may include seemingly random variations and in some cases multiple regions of straight-line behavior. We have recently introduced an effective temperature T*(E), derived from the actual local slope of the putative straight line at energy E, which turns out to be a very sensitive detector of deviations from the ideal and, we believe, from equilibrium in the excited state. Plots of T*(E) display a variety of features. An anomaly in the T*(E) spectrum of chlorophyll a can be analyzed on this model, indicating a second weakly fluorescent state about 70 meV below the well-known Q_{y} band. The cases of chlorophyll and many others are included in a selective review of applications of the universal relation to fluorescent systems.
    Źródło:
    Acta Physica Polonica A; 1999, 95, 1; 85-103
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    IINS, FT-IR and DFT Study of the Internal Dynamics of $[4-apyH][SbCl_4]$
    Autorzy:
    Hołderna-Natkaniec, K.
    Natkaniec, I.
    Mikuli, E.
    Swiergiel, J.
    Khavryutchenko, V.
    Jakubas, R.
    Powiązania:
    https://bibliotekanauki.pl/articles/1813168.pdf
    Data publikacji:
    2008-04
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    78.70.Nx
    33.20.Ea
    77.84.-s
    31.15.E-
    Opis:
    A combination of infrared and inelastic incoherent neutron scattering spectroscopies with the density functional theory and semi-empirical calculations was applied to propose an assignment of the vibrational spectra of 4-aminopyridine chloroantimonate(IV).
    Źródło:
    Acta Physica Polonica A; 2008, 113, 4; 1117-1130
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Analysis of High Efficiency Electromagnetically Induced Transparency in Potassium Vapor
    Autorzy:
    Gozzini, S.
    Slavov, D.
    Cartaleva, S.
    Marmugi, L.
    Lucchesini, A.
    Powiązania:
    https://bibliotekanauki.pl/articles/1791196.pdf
    Data publikacji:
    2009-10
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    33.57.+c
    31.15.B
    32.80.Xx
    32.50.+d
    32.60.+i
    Opis:
    We present a rate-equation theoretical model describing the optical pumping processes on the K $D_{1}$ line and we then discuss their influence on the electromagnetically induced transparency resonance parameters. We present also a comparison with the results of an experiment performed in cells containing pure alkali metal or added with a few torrs of buffer gas. The model shows that, in the last case, the complete Maxwellisation of the atomic population velocity distribution, along with the overlapping Doppler profiles of the transitions from the ground-states typical of K, leads to a partial compensation of optical pumping and a significant increase of the amplitude of the electromagnetically induced transparency resonances.
    Źródło:
    Acta Physica Polonica A; 2009, 116, 4; 489-491
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Mössbauer Spectrometry Study of Biological Tissues
    Autorzy:
    Bonková, I.
    Miglierini, M.
    Bujdoš, M.
    Kopáni, M.
    Powiązania:
    https://bibliotekanauki.pl/articles/1032139.pdf
    Data publikacji:
    2017-04
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    33.45.+x
    87.64.kx
    31.30.Gs
    87.15.B-
    75.75.-c
    Opis:
    Magnetic microstructure of iron contained in selected biological tissues is characterized and mutually compared. We have studied three types of biological samples prepared from human brain, human and horse spleen. Original samples were lyophilized (dried in a vacuum) thus providing powder forms. As a principal method of study, ⁵⁷Fe Mössbauer spectrometry in transmission mode was used. The Mössbauer spectrometry experiments were performed at room ( ≈300 K) and at liquid helium (4.2 K) temperature. At room temperature Mössbauer spectra show doublet-like features. Such behaviour indicates possible presence of nanoparticles with fluctuating magnetic moments that acquire arbitrary positions. On the other hand, low temperature Mössbauer spectrometry measurements demonstrate significant contribution of sextets that confirmed occurrence of blocked magnetic moments of iron-containing particles. Different relative contributions of magnetic components in the low temperature spectra for the three inspected biological tissues suggest differences in the blocking temperatures of the magnetic nanoparticles present in them.
    Źródło:
    Acta Physica Polonica A; 2017, 131, 4; 1081-1083
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Molecular Reorientations οf N-n-Hexyltetrachlorophthalimide Studied by $\text{}^1H$ NMR
    Autorzy:
    Hołderna-Natkaniec, K.
    Jurga, K.
    Woźniak-Braszak, A.
    Walczak, A.
    Powiązania:
    https://bibliotekanauki.pl/articles/1538203.pdf
    Data publikacji:
    2010-04
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    07.05.Tp
    31.15.E-
    33.20.Ea
    64.70.K-
    76.60.-k
    Opis:
    The spin-lattice relaxation times $T_{1}$ and the second moment of $\text{}^{1}H$ NMR line have been employed to study the internal dynamics of protons of N-n-hexyl-tetra-chloro-phthali-mides in the temperature range 80-350 K. The model of internal reorientations has been proposed.
    Źródło:
    Acta Physica Polonica A; 2010, 117, 4; 537-548
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    The Escape of O⁺ and CO⁺ Ions from Mars and Titan Atmospheres by Coulomb Explosion of CO₂²⁺ Molecular Dications
    Autorzy:
    Falcinelli, S.
    Powiązania:
    https://bibliotekanauki.pl/articles/1033346.pdf
    Data publikacji:
    2017-01
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    31.15.ag
    31.50.Bc
    33.15.Ta
    33.80.Eh
    37.20.+j
    95.30.Cq
    95.30.Dr
    95.30.Ft
    95.30.Ky
    94.05.Rx
    94.20.Cf
    94.20.D-
    94.20.dv
    94.20.W-
    94.20.wg
    Opis:
    Main properties of multiply charged molecular ions (energetics, structure, stability, lifetime and fragmentation dynamics) are relevant to know and to model the behavior of gaseous plasmas, planetary ionospheres, and astrophysical environments. Experimental measurements of the kinetic energy released of fragment ions produced by the Coulomb explosion of molecular dications (doubly charged molecular species) originating by double photoionization of CO₂ molecules, are reported and discussed. The kinetic energy released, as a function of the UV photon energy in the range of 34-50 eV, is extracted from the electron-ion-ion coincidence spectra recorded by using tunable synchrotron radiation coupled with ion imaging techniques at the GasPhase beam line of ELETTRA Synchrotron Light Laboratory Trieste, Italy. This kind of experiment allows assessing the probability of escape for simple ionic species in the ionosphere of Mars and Titan. The kinetic energy released, measured in the case of O⁺ and CO⁺ fragment ions, are ranging between 1.0-5.0 and 0.4-3.0 eV, respectively. These values are large enough to allow such ionic species in participating in the atmospheric escape from Mars (only O⁺ ions) and Titan (both O⁺ and CO⁺ ions) into space. In the case of Mars, we suggest a possible rationalization for the observed behavior of the O⁺ and CO₂²⁺ ion density profiles by Viking 1 lander and Mariner 6 spacecraft.
    Źródło:
    Acta Physica Polonica A; 2017, 131, 1; 112-116
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    The Covenants of the Patriarchs with Foreigners at Beersheba. The Historical and Legal Background of the Traditions in Gen 21:22–24, 25–33 and Gen 26:26–31
    Autorzy:
    Dziadosz, Dariusz
    Powiązania:
    https://bibliotekanauki.pl/articles/20679089.pdf
    Data publikacji:
    2023-07-11
    Wydawca:
    Katolicki Uniwersytet Lubelski Jana Pawła II
    Tematy:
    Abraham
    Isaac
    Abimelek
    oreign/sojourner/resident
    covenant
    royal grant
    Suzerain-Vassal Treaty
    Gen 21:22–24
    Gen 21:25–33
    Gen 26:26–31
    Levant royal texts from the 2nd millennium BC
    Opis:
    The author of this paper seeks the original historical context as well as the oldest form, structure and concept of the biblical records of the covenants of Abraham and Isaac with the local ruler(s) as recorded in Gen 21:22–24, 25–33; 26:26–31. The patriarchs, who enjoy the status of foreign/sojourner/ resident in the land of the Philistine king, Abimelek, and their peaceful agreements are depicted in three biblical sources, which are very similar to each other in terms of structure and literary context. Those are compared with selected Hittite, Babylonian and Assyrian records of the royal covenants from the 2 millennium BC. The methodology adopted in the research allowed several important formal and substantive points of contact to be noted in the compared sources. Through this comparison, the paper confirms that Gen 21:22–24, 25 33; 26:26–31 reflects two ancient patterns of bilateral covenants between the monarch and an equal or subordinate social partner: royal grants and suzerain-vassal treaties. The paper also discusses the socio-cultural and legal spectrum of the Near Eastern royal procedures and how they were re-edited and adapted by the editors responsible for the current version of the biblical cycles about the patriarchs.
    Źródło:
    The Biblical Annals; 2023, 13, 3; 335-365
    2083-2222
    2451-2168
    Pojawia się w:
    The Biblical Annals
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Pierwszy Jastrząb po obsłudze okresowej Phase 400 w WZL Nr 2 S.A.
    Autorzy:
    Pacholski, Łukasz.
    Powiązania:
    Wojsko i Technika 2021, nr 5, s. 64-66
    Data publikacji:
    2021
    Tematy:
    33 Baza Lotnictwa Transportowego (Powidz)
    31 Baza Lotnictwa Taktycznego (Poznań)
    Wojskowe Zakłady Lotnicze nr 2 (Bydgoszcz)
    Siły powietrzne
    Lotnictwo wojskowe
    Samoloty wielozadaniowe
    Samoloty bojowe
    F-16 Jastrząb (samolot)
    Lockheed Martin F-16C/D Block 52 (samolot)
    Artykuł z czasopisma fachowego
    Artykuł z czasopisma wojskowego
    Opis:
    W kwietniu 2021 roku po obsłudze okresowej wrócił do 31. Bazy Lotnictwa Taktycznego w Poznaniu-Krzesinach wielozdaniowy samolot bojowy Lockheed Martin F-16C Jastrząb. Okresowa obsługa została wykonana po 400 godzinach lotu przez Wojskowe Zakłady Lotnicze nr 2 S.A. z Bydgoszczy. Było to pierwsze tego typu zadanie związane z użytkowaniem Jastrzębi.
    Fotografie.
    Dostawca treści:
    Bibliografia CBW
    Artykuł
      Wyświetlanie 1-36 z 36

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