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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
Wyświetlanie 1-15 z 36

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