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Search results for: quantum%20physics
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Fluorescence anisotropy decay in the presence of multistep energy migration and back transfer in disordered two-component systems
PublicationPrzeprowadzono analizę zaniku anizotropii fluorescencji w sztywnym (lepkim) układzie dwuskładnikowym donor (Rodamina 6G)- akceptor (Rodamina B) z uwzględnieniem prostego i powrotnego transferu energii. Stwierdzono bardzo dobrą zgodność danych doświadczalnych z wynikami symulacji Monte Carlo. W pracy zaprezentowano specjalnie opracowany hybrydowy algorytm symulacji Monte Carlo anizotropii emisji, który jest bardzo wydajny w porównaniu...
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Exciton quenching in emitter blends for organic light emitting devices probed by electric field-dependent time-resolved luminescence
PublicationW pracy badano mechanizm wygaszania ekscytonów w układzie dwuamina TPD:organiczny kompleks Eu:matryca TPD przez pomiar zaniku fotoluminescencji w zewnętrznym polu elektrycznym.
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Hybrid Monte-Carlo simulations of fluorescence anisotropy decayin three-component donor-mediator-acceptor systems in the presenceof energy transfer
PublicationW pracy przedstawiono nowy hybrydowy algorytm symulacji Monte-Carlo układu trójskładnikowego donor-mediator-akceptor. Działanie algorytmu zilustrowano na przykładzie zaników anizotropii emisji fluorescencji powyższego układu. Porównano wyniki hybrydowej symulacji Monte-Carlo z wynikami klasycznej metody ''step by step''. Stwierdzono bardzo dobrą zgodność wyników obu symulacji, przy czym algorytm hybrydowy wymaga znacznie krótszego...
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Theoretical study of the structure, energetics and vibrational frequencies of water-acetone and water-2-butanone complexes
PublicationKompleksy acetonu i 2-butanonu z 0-2 cząsteczkami wody połączonymi wiązaniem wodorowym z tlenem karbonylowym zbadano z wykorzystaniem teorii funkcjonału gęstości (DFT) na poziomie B3LYP/6-311++G(d,p). Obliczenia w fazie gazowej uzupełniono o optymalizacje w otoczeniu rozpuszczalnika, symulowanego za pomocą modelu polaryzowalnego kontinuum (PCM). Częstości drgań oscylacyjnych otrzymane na podstawie zależności empirycznej sa zgodne...
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A comparison of tribological properties of nanolubricants containing carbon nanotori and additional additives
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Reduced diameter distribution of single-wall carbon nanotubes by selective oxidation
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Efficient production of B-substituted single-wall carbon nanotubes
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Bulk synthesis of carbon-filled silicon carbide nanotubes with a narrow diameter distribution
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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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The acid strength of the datively bound complexes involving AlF3 lone pair acceptor and various lone pair donors
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AlF4 superhalogen as the trigger-compound initiating the radical-substitution reactions
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Shape resonance of the ethylene anion stabilized in a molecular trap
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The saturation of the excess electron binding energy in AlnF3n+1- (n= 1–5) anions
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