Wyniki wyszukiwania dla: PROTON COUPLED ELECTRON CHARGE TRANSFER
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Vibrational inelastic electron-H2 scattering revisited: numerically converged coupled channels space frame calculations with model interaction
PublikacjaZderzeniowe wzbudzenie niższych oscylacyjnych poziomów molekuły H2 (^1Σ^+,g) przez elektrony o niskiej energii. Obliczenia wykonano przy użyciu empirycznego modelowego potencjału oraz przez rozwiązanie równania rozpraszania dwukanałowego w układzie współrzędnych, związanych z molekułą.
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Monitoring the BTEX Volatiles during 3D Printing with Acrylonitrile Butadiene Styrene (ABS) Using Electronic Nose and Proton Transfer Reaction Mass Spectrometry
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Separation of nitroaromatics and their transformation products in soil around ammunition plants: New high performance liquid chromatographic charge transfer stationary phases
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Rengel Cane Sia Doctoral Candidate
OsobyI'm Rengel, born and raised in the Philippines. As an undergraduate I did kinetic modeling on Copper-catalyzed atom transfer radical addition (ATRA). Then I was inspired to do both theoretical and experimental studies, which led me to propose my master's thesis on Synthesis, Computational, Electrochemical, and Photoconductivity Studies on Naphthalene and its derivatives. This led to a master's degree in Chemistry in the Mindanao...
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Electron Density from Balmer Series Hydrogen Lines and Ionization Temperatures in Inductively Coupled Argon Plasma Supplied by Aerosol and Volatile Species
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How to determine whether an electron transfer channel is type-II or S-scheme in g–C3N4–based photocatalysts? A critical review
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Mo93m isomer depletion via nuclear excitation by electron capture in resonant transfer into highly excited open-shell atomic states
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Dipole-bound anions supported by charge-transfer interaction: Anionic states of HnF3?nN ? BH3 and H3N ? BHnF3?n (n = 0, 1, 2, 3)
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Quantitative structure activity relationships for the electron transfer reactions ofAnabaenaPCC 7119 ferredoxin-NADP+oxidoreductase with nitrobenzene and nitrobenzimidazolone derivatives: mechanistic implications
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Thymine dimer repair by electron transfer from photo-excited 2′,3′,5′-tri-O-acetyl-8-oxo-7,8-dihydroguanosine or 2′,3′,5′-tri-O-acetyl-ribosyluric acid – a theoretical study
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In situ spectroelectrochemical and theoretical study on the oxidation of a 4H-imidazole-ruthenium dye adsorbed on nanocrystalline TiO2thin film electrodes
PublikacjaTerpyridine 4H-imidazole-ruthenium(ii) complexes are considered promising candidates for use as sensitizers in dye sensitized solar cells (DSSCs) by displaying broad absorption in the visible range, where the dominant absorption features are due to metal-to-ligand charge transfer (MLCT) transitions. The ruthenium(iii) intermediates resulting from photoinduced MLCT transitions are essential intermediates in the photoredox-cycle...
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Dissociative electron attachment and anion-induced dimerization in pyruvic acid
PublikacjaWe report partial cross sections for the dissociative electron attachment to pyruvic acid. A rich fragmentation dynamics is observed. Electronic structure calculations facilitate the identification of complex rearrangement reactions that occur during the dissociation. Furthermore, a number of fragment anions produced at electron energies close to 0 eV are observed, that cannot originate from single electron-molecule collisions....
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Optoelectronic properties of curved carbon systems
PublikacjaSystematic investigation of optoelectronic properties of curved carbon systems has been performed and the results have been compared with the representatives of flat carbon systems. Moreover, the application of third order dispersion corrected density functional tight binding method (with third order corrections of self-consistent charges) including Becke-Johnson dumping (DFTB3-D3(BJ)) has been validated in order to obtain reliable...
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Oznaczanie tlenu – od metody Winklera do czujników enzymatycznych (Determination of oxygen – from Winkler Method to enzymatic sensor)
PublikacjaMonitoring of dioxygen levels is of utmost importance from the view-point of life processes, medical diagnostics, nutrition and chemical industries. In all these measurements both low and high levels of this element are important. The common methods for the determination of dioxygen are the Winkler method, Clark electrode and pulsoxymeters. A new, already strong field of research can be now recognized – the development of miniaturized...
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Carboxylation Enhances Fragmentation of Furan upon Resonant Electron Attachment
PublikacjaWe report a dissociative electron attachment study to 2-furoic acid (C5H4O3) isolated in a gas phase, which is a model molecule consisting of a carboxylic group and a furan ring. Dissociation of furan by low energy electrons is accessible only via electronic excited Feshbach resonances at energies of incident electrons above 5 eV. On the other hand, carboxylic acids are well- known to dissociate via attachment of electrons at subexcitation energies....
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Protonic Ceramic Fuel Cells as novel electrochemical devices
PublikacjaProton ceramic conductors are novel materials which are interesting from the application point of view. For example, Protonic Ceramic Fuel Cells (PCFCs) is a type of a solid oxide fuel cell, which uses proton ceramic conductors as an electrolyte. Scientists are looking for the most efficient materials for these devices. In recent years main focus has been put on the search for new proton and mixed proton-electron conductors which...
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Images revealing the effect of local femtosecond laser ablation of conductive poly(lactic acid) 3D printed electrodes
Dane BadawczeThe dataset reveals the images of the femtosecond laser (FSL) ablation at the surface of commercially available carbon black-filled poly(lactic acid) 3D printed electrode. The process is used for the increase of the charge transfer of this electrode in electrochemical studies.
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Surprising Radiolytic Stability of 8‑Thiomethyladenine in an Aqueous Solution
Publikacja8-Thiomethyladenine (ASCH3), a potentially radiosensitizing modified nucleobase, has been synthesized in a reaction between 8-thioadenine and methyl iodide. Despite favorable dissociative electron attachment (DEA) characteristics, the radiolysis of an aqueous solution of ASCH3 with a dose of X-ray amounting to as much as 300 Gy leads to no effects. Nevertheless, crossed electron-molecule beam experiments in the gas phase on ASCH3...
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Imidazolium silanethiolates relevant to the active site of cysteineproteases. A cooperative effect in a chain of NH(+)...S(-) hydrogenbonds
PublikacjaThree imidazolium silanethiolates relevant to the active site of cysteine proteases have been synthesized and investigated by X-ray diffraction, IR spectroscopy and computational methods. As indicated by crystallographic and FT-IR data in the solid state, the transfer of proton from thiol to imidazole takes place and a thiolato-imidazolium ion pair is formed. The FT-IR spectra of crystalline imidazolium silanethiolates exhibit...
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SEM micrographs of V2O5 nanorods as cathode material in Li-ion batteries
Dane BadawczeThe DataSet contains the scanning electron microscopy (SEM) micrographs of V2O5 nanorods as cathode materials before and after the galvanostatic charge/discharge curves.
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SEM micrographs of V2O5 nanocrystals as cathode material in Li-ion batteries
Dane BadawczeThe DataSet contains the scanning electron microscopy (SEM) micrographs of V2O5 nanocrystals as cathode materials before and after the galvanostatic charge/discharge curves.
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Charge-assisted N(+)–H···(−)S hydrogen bonds in the crystal structure of selected diammonium thiophenolates.
PublikacjaNew salts of thiophenol with three flexible aliphatic diamines H2N(CH2)nNH2 (n = 2, 4 and 6) have been synthesized and characterized by elemental analyses, IR spectroscopy and X-ray crystallography in order to analyze their supramolecular architecture. Structural analyses indicate that in the crystals, proton transfer has occurred, with the –SH group giving (+)N–H···S(−) hydrogen bonding interaction. The structure of compound 1...
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Electron-Induced Decomposition of 5-Bromo-4-thiouracil and 5-Bromo-4-thio-2′-deoxyuridine: The Effect of the Deoxyribose Moiety on Dissociative Electron Attachment
PublikacjaWhen modified uridine derivatives are incorporated into DNA, radical species may form that cause DNA damage. This category of molecules has been proposed as radiosensitizers and is currently being researched. Here, we study electron attachment to 5-bromo-4-thiouracil (BrSU), a uracil derivative, and 5-bromo-4-thio-20 -deoxyuridine (BrSdU), with an attached deoxyribose moiety via the N-glycosidic (N1-C) bond. Quadrupole mass spectrometry...
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Synchrotron radiation photoemission spectroscopy of the oxygen modified CrCl3 surface
PublikacjaWe investigate the experimentally challenging CrCl3 surface by photon energy dependent photoemission (PE). The core and valence electrons after cleavage of a single crystal, either in a ultrahigh vacuum (UHV) or in air, are studied by keeping the samples at 150 1C, aiming at confirming the atomic composition with respect to the expected bulk atomic structure. A common spectroscopic denominator revealed by data is the presence of...
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Photosensitization of TiO2 and SnO2 by Artificial Self-Assembling Mimics of the Natural Chlorosomal Bacteriochlorophylls
PublikacjaOf all known photosynthetic organisms, the green sulfur bacteria are able to survive under the lowest illumination conditions due to highly efficient photon management and exciton transport enabled by their special organelles, the chlorosomes, which consist mainly of self-assembled bacteriochlorophyll c, d, or e molecules. A challenging task is to mimic the principle of self-assembling chromophores in artificial light-harvesting...
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Conformation analysis and semiclassical dynamics study of charge exchange process induced by collision of C2+ ions with tetrahydrofuran
PublikacjaWe present the results of recent investigations of charge transfer processes in the collisions of C²⁺ ions with heterocyclic molecules of tetrahydrofuran.
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Unraveling Luminescent Energy Transfer Pathways: Futuristic Approach of Miniature Shortwave Infrared Light-Emitting Diode Design
Dane BadawczePhosphor-converted shortwave infrared phosphor light-emitting diodes (pc-SWIR LEDs, 900–1700 nm) are promising next-generation portable light sources for spectroscopy, security, optical communication, and medical applications. A typical design strategy involves energy transfer from Cr3+ to Ni2+, and thus, energy transfer from Cr3+–Cr3+ pairs to Ni2+...
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Photophysics of a Ruthenium 4H-Imidazole Panchromatic Dye in Interaction with Titanium Dioxide
PublikacjaThe photophysics of bis(4,4′-di-tert-butyl-2,2′-bipyridine-κ2N,N′)[2-(4-carboxyphenyl)-4,5-bis(p-tolylimino-κN)imidazolato]ruthenium(II) hexafluorophosphate is investigated, both in solution and attached to a nanocrystalline TiO2 film. The studied substitution pattern of the 4H-imidazole ligand is observed to block a photoinduced structural reorganization pathway within the 4H-imidazole ligand that has been previously investigated....
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Long-term measurement of physiological parameters - adult (120 minutes)
Dane BadawczeThe data set was obtained during the project focus on the determination of changes in physiological parameters due to a stressful situation.The measurements were conducted with the system which consists e.g. sensors of temperature, skin resistance, and pulse.Long-term (120 minutes) measurement of physiological parameters was performed on the healthy...
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Long-term measurement of physiological parameters.
Dane BadawczeThe data set was obtained during the project focus on the determination of changes in physiological parameters due to a stressful situation.The measurements were conducted with the system which consists e.g. sensors of temperature, skin resistance, and pulse.Long-term (up to 90 minutes) measurement of physiological parameters was performed on the healthy...
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Long-term measurement of physiological parameters - child (60 minutes)
Dane BadawczeThe data set was obtained during the project focus on the determination of changes in physiological parameters due to a stressful situation.The measurements were conducted with the system which consists e.g. sensors of temperature, skin resistance, and pulse.Long-term (60 minutes) measurement of physiological parameters was performed on the healthy...
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Long-term measurement of physiological parameters - child (3)
Dane BadawczeThe data set was obtained during the project focus on the determination of changes in physiological parameters due to a stressful situation.The measurements were conducted with the system which consists e.g. sensors of temperature, skin resistance, and pulse.Long-term (up to 60 minutes) measurement of physiological parameters was performed on the healthy...
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Long-term measurement of physiological parameters (4)
Dane BadawczeThe data set was obtained during the project focus on the determination of changes in physiological parameters due to a stressful situation.The measurements were conducted with the system which consists e.g. sensors of temperature, skin resistance, and pulse.Long-term (up to 90 minutes) measurement of physiological parameters was performed on the healthy...
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Long-term measurement of physiological parameters - child (4)
Dane BadawczeThe data set was obtained during the project focus on the determination of changes in physiological parameters due to a stressful situation.The measurements were conducted with the system which consists e.g. sensors of temperature, skin resistance, and pulse.Long-term (up to 120 minutes) measurement of physiological parameters was performed on the healthy...
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Long-term measurement of physiological parameters - adult (1)
Dane BadawczeThe data set was obtained during the project focus on the determination of changes in physiological parameters due to a stressful situation.The measurements were conducted with the system which consists e.g. sensors of temperature, skin resistance, and pulse.Long-term (up to 120 minutes) measurement of physiological parameters was performed on the healthy...
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Long-term measurement of physiological parameters (3)
Dane BadawczeThe data set was obtained during the project focus on the determination of changes in physiological parameters due to a stressful situation.The measurements were conducted with the system which consists e.g. sensors of temperature, skin resistance, and pulse.Long-term (up to 90 minutes) measurement of physiological parameters was performed on the healthy...
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Long-term measurement of physiological parameters - child (2)
Dane BadawczeThe data set was obtained during the project focus on the determination of changes in physiological parameters due to a stressful situation.The measurements were conducted with the system which consists e.g. sensors of temperature, skin resistance, and pulse.Long-term (up to 120 minutes) measurement of physiological parameters was performed on the healthy...
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Long-term measurement of physiological parameters (2)
Dane BadawczeThe data set was obtained during the project focus on the determination of changes in physiological parameters due to a stressful situation.The measurements were conducted with the system which consists e.g. sensors of temperature, skin resistance, and pulse.Long-term (up to 90 minutes) measurement of physiological parameters was performed on the healthy...
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Long-term measurement of physiological parameters - child (1)
Dane BadawczeThe data set was obtained during the project focus on the determination of changes in physiological parameters due to a stressful situation.The measurements were conducted with the system which consists e.g. sensors of temperature, skin resistance, and pulse.Long-term (up to 110 minutes) measurement of physiological parameters was performed on the healthy...
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Long-term measurement of physiological parameters - a teenager (60 minutes) 3 serie
Dane BadawczeThe data set was obtained during the project focus on the determination of changes in physiological parameters due to a stressful situation.The measurements were conducted with the system which consists e.g. sensors of temperature, skin resistance, and pulse.Long-term (60 minutes) measurement of physiological parameters was performed on the healthy...
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Long-term measurement of physiological parameters - a teenager (60 minutes) 6th serie
Dane BadawczeThe data set was obtained during the project focus on the determination of changes in physiological parameters due to a stressful situation.The measurements were conducted with the system which consists e.g. sensors of temperature, skin resistance, and pulse.Long-term (60 minutes) measurement of physiological parameters was performed on the healthy...
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Long-term measurement of physiological parameters - a teenager (60 minutes) 5 serie
Dane BadawczeThe data set was obtained during the project focus on the determination of changes in physiological parameters due to a stressful situation.The measurements were conducted with the system which consists e.g. sensors of temperature, skin resistance, and pulse.Long-term (60 minutes) measurement of physiological parameters was performed on the healthy...
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Long-term measurement of physiological parameters - a teenager (60 minutes) 1 serie
Dane BadawczeThe data set was obtained during the project focus on the determination of changes in physiological parameters due to a stressful situation.The measurements were conducted with the system which consists e.g. sensors of temperature, skin resistance, and pulse.Long-term (60 minutes) measurement of physiological parameters was performed on the healthy...
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Long-term measurement of physiological parameters - a teenager (60 minutes) 12. series
Dane BadawczeThe data set was obtained during the project focus on the determination of changes in physiological parameters due to a stressful situation.The measurements were conducted with the system which consists e.g. sensors of temperature, skin resistance, and pulse.Long-term (60 minutes) measurement of physiological parameters was performed on the healthy...
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Long-term measurement of physiological parameters - a teenager (4h)
Dane BadawczeThe data set was obtained during the project focus on the determination of changes in physiological parameters due to a stressful situation.The measurements were conducted with the system which consists e.g. sensors of temperature, skin resistance, and pulse.Long-term (4 hours) measurement of physiological parameters was performed on the healthy volunteer...
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Long-term measurement of physiological parameters - a teenager (60 minutes) 11. series
Dane BadawczeThe data set was obtained during the project focus on the determination of changes in physiological parameters due to a stressful situation.The measurements were conducted with the system which consists e.g. sensors of temperature, skin resistance, and pulse.Long-term (60 minutes) measurement of physiological parameters was performed on the healthy...
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Long-term measurement of physiological parameters - a teenager (60 minutes) 2 serie
Dane BadawczeThe data set was obtained during the project focus on the determination of changes in physiological parameters due to a stressful situation.The measurements were conducted with the system which consists e.g. sensors of temperature, skin resistance, and pulse.Long-term (60 minutes) measurement of physiological parameters was performed on the healthy...
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Long-term measurement of physiological parameters - a teenager (60 minutes) 7th serie
Dane BadawczeThe data set was obtained during the project focus on the determination of changes in physiological parameters due to a stressful situation.The measurements were conducted with the system which consists e.g. sensors of temperature, skin resistance, and pulse.Long-term (60 minutes) measurement of physiological parameters was performed on the healthy...
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Long-term measurement of physiological parameters - a teenager (60 minutes) 10th series
Dane BadawczeThe data set was obtained during the project focus on the determination of changes in physiological parameters due to a stressful situation.The measurements were conducted with the system which consists e.g. sensors of temperature, skin resistance, and pulse.Long-term (60 minutes) measurement of physiological parameters was performed on the healthy...
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Long-term measurement of physiological parameters - a teenager (150 minutes) 1 serie
Dane BadawczeThe data set was obtained during the project focus on the determination of changes in physiological parameters due to a stressful situation.The measurements were conducted with the system which consists e.g. sensors of temperature, skin resistance, and pulse.Long-term (up to 150 minutes) measurement of physiological parameters was performed on the healthy...