Filters
total: 2097
filtered: 1436
-
Catalog
- Publications 1436 available results
- Journals 331 available results
- Conferences 5 available results
- Publishing Houses 1 available results
- People 135 available results
- Projects 7 available results
- Research Teams 1 available results
- e-Learning Courses 53 available results
- Events 3 available results
- Open Research Data 125 available results
Chosen catalog filters
displaying 1000 best results Help
Search results for: quantum%20physics
-
Hybrid Monte-Carlo simulations of fluorescence anisotropy decay in disordered two-component systems in the presence of forward and back energy transfer
PublicationW pracy przedstawiono hybrydowy algorytm symulacji Monte Carlo zaniku anizotropii emisji fluorescencji w układach dwuskładnikowych z uwzględnieniem prostego i powrotnego transferu energii. Poprawność nowego algorytmu symulacji Monte Carlo zweryfikowano poprzez porównanie z wynikami obliczeń teoretycznych otrzymanymi w ramach modelu SCDM i z wynikami standardowej symulacji Monte Carlo (algorytm 'step by step').
-
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...
-
Homogeneous nucleation rate of methane hydrate formation under experimental conditions from seeding simulations
PublicationIn this work, we shall estimate via computer simulations the homogeneous nucleation rate for the methane hydrate at 400 bars for a supercooling of about 35 K. The TIP4P/ICE model and a Lennard-Jones center were used for water and methane, respectively. To estimate the nucleation rate, the seeding technique was employed. Clusters of the methane hydrate of different sizes were inserted into the aqueous phase of a two-phase gas–liquid...
-
Low-frequency noise in ZrS3 van der Waals semiconductor nanoribbons
PublicationWe report the results of the investigation of low-frequency electronic noise in ZrS3 van der Waals semiconductor nanoribbons. The test structures were of the back-gated field-effect-transistor type with a normally off n-channel and an on-to-off ratio of up to four orders of magnitude. The current–voltage transfer characteristics revealed significant hysteresis owing to the presence of deep levels. The noise in ZrS3 nanoribbons...
-
ThreSpect – A Program for the Determination of the Appearance Energies of Neutral and Ionized Species
PublicationCollisions of photons and charged particles with molecules lead to their excitation, ionization, and dissociation into neutral and ionized fragments. Accurately determining thresholds of the formation of particular products plays a vital role in analyzing processes occurring during these interactions. Therefore, we present a computer program, “ThreSpect,” that allows calculating threshold energies of various species generated in...
-
Dehydrogenation in electron-induced dissociative ionization of pyridine molecule
PublicationThe electron-impact dissociative ionization of pyridine has been investigated using mass spectrometry. Thirty-two well-resolved mass peaks have been identified in the cation mass spectra and assigned to the most likely ionic molecular fragments. The new sixteen ionic fragments' appearance energies have been determined, and sixteen others remeasured. The total cross-section for electron-impact ionization of pyridine has been measured...
-
Mechanism of antifreeze protein functioning and the “anchored clathrate water” concept
PublicationIn liquid water, there is a natural tendency to form aggregates that consist of water molecules linked by hydrogen bonds. Such spontaneously formed aggregates are surrounded by a "sea" of disordered water molecules, with both forms remaining in equilibrium. The process of creating water aggregates also takes place in the solvation water of proteins, but in this case the interactions of water molecules with the protein surface shift...
-
Low-frequency noise in Au-decorated graphene–Si Schottky barrier diode at selected ambient gases
PublicationWe report results of the current–voltage characteristics and low-frequency noise in Au nanoparticle (AuNP)-decorated graphene–Si Schottky barrier diodes. Measurements were conducted in ambient air with addition of either of two organic vapors, tetrahydrofuran [(CH2)4O; THF] and chloroform (CHCl3), as also during yellow light illumination (592nm), close to the measured particle plasmon polariton frequency of the Au nanoparticle...
-
Impedance spectroscopy of BaTiO3 cubes suspended in lossy liquids as a physical model of two-phase system
PublicationTechniki spektroskopii impedancyjnej zostały wykorzystane do analizy modelu fizycznego w układzie dwufazowym w celu wyznaczanie stałej dielektrycznej dielektryka umieszczonego w cieczy. Badania eksperymentalne przeprowadzono z użyciem BaTiO3 jako materiału dielektrycznego, który został przygotowany jako kostki o jednakowej wielkości 2x2x1 mm3.
-
The hydrogen bond network structure within the hydration shell around simple osmolytes: Urea, tetramethylurea, and trimethylamine-N-oxide, investigated using both a fixed charge and a polarizable water model
PublicationDespite numerous experimental and computer simulation studies, a controversy still exists regarding the effect of osmolytes on the structure of surrounding water. There is a question, to what extent some of the contradictory results may arise from differences in potential models used to simulate the system or parameters employed to describe physical properties of the mixture and interpretation of the results. Bearing this in mind,...
-
Impact of chitosan/noble metals-based coatings on the plasmochemically activated surface of NiTi alloy
Publication -
Thermoluminescence glow curves and deconvoluted glow peaks of Ge doped flat fibers at ultra-high doses of electron radiation
Publication -
Study of impurities in alpha-Al 2 O 3 powders and crystals using EPR spectroscopy
Publication -
Potential application of pure silica optical flat fibers for radiation therapy dosimetry
Publication -
Properties of lithium aluminate for application as an OSL dosimeter
Publication -
Dielectric response of electric-field distortions of the twist-bend nematic phase for LC dimers
Publication -
Observation of the de Vries behavior in SmA* phase of a liquid crystal using polarised Raman scattering and infrared spectroscopy
Publication -
Origin of the liquid-liquid phase transition for trans-1,2-dichloroethylene observed by IR spectroscopy
Publication -
Biaxial order and a rotation of the minor director in the nematic phase of an organo-siloxane tetrapode by the electric field
Publication -
Analysis of experimental and simulated vibrational spectra for the antiferroelectric liquid crystal 12OBBB1M6
Publication -
The orientational order parameters of a dendritic liquid crystal organo-siloxane tetrapode oligomer, determined using polarized infrared spectroscopy
Publication -
Anomalous temperature dependence of layer spacing of de Vries liquid crystals: Compensation model
Publication -
The mechanism of tert-butylthiol formation via hydrosulfurization of isobutene catalyzed by superacids (HBF4, HAsF6, and HSbF6)
Publication -
Introducing various ligands into superhalogen anions reduces their electronic stabilities
Publication -
Anab initiostudy of (H3B←NH3)−—a dipole-bound anion supported by the dative charge-transfer bond in the neutral host
Publication -
The existence and stability of the anions matching the formula (M=Li, Na, K, Be, Mg, Ca, B, Al, Ga)
Publication -
The presence of two different central atoms increases the strength of Lewis-Brønsted superacids
Publication -
Double amino acid – A novel molecule enabling peptide interpenetrating structures
Publication -
Theoretical study of the dipole-bound anion (HPPH3)−
Publication -
Non-ionic and zwitterionic forms of neutral arginine – an ab initio study
Publication -
An excess electron bound to urea. III. The urea dimer as an electron trap
Publication -
Ab initio electronic structure of HCN− and HNC− dipole-bound anions and a description of electron loss upon tautomerization
Publication -
A dipole-bound dianion
Publication -
Is 9-acridinamine anion a dispersion-bound anion?
Publication -
Enormously large (approaching 14 eV!) electron binding energies of [HnFn+1]- (n= 1–5, 7, 9, 12) anions
Publication -
The correlation-bound anion of p-chloroaniline
Publication -
Superhalogen oxidizers capable of ionizing water molecules
Publication -
Attaching Be or Mg to BH3 results in the formation of BeBH3 and MgBH3 molecules capable of forming stable anions
Publication -
An excess electron bound to urea. I. Canonical and zwitterionic tautomers
Publication -
The IP vs. VDE competition as a key factor determining the stability of the MgBX5 (X = F, Cl) compounds
Publication -
The existence and gas phase acidity of the HAlnF3n+1 superacids (n=1–4)
Publication -
Stable anions formed by organic molecules substituted with superhalogen functional groups
Publication -
The acid strength of the HF/AlX3 Lewis-Brønsted complexes involving various electron acceptors as ligands
Publication -
Cationic and anionic daughters of AlOH and GaOH. An ab initio study
Publication -
A strongly bound OF3- anion and its unstable parent neutral OF3 species
Publication -
Is the p-chloroaniline anion bound almost entirely by correlation?
Publication -
Is hydrogen capable of playing a central atom role in superhalogen anions?
Publication -
Shape resonance of H[sub 2][sup −] anion stabilized in a molecular trap
Publication -
The acid strength of the datively bound complexes involving AlF3 lone pair acceptor and various lone pair donors
Publication -
AlF4 superhalogen as the trigger-compound initiating the radical-substitution reactions
Publication