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Wyniki wyszukiwania dla: TRYTON
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π-Stacking attraction vs. electrostatic repulsion: competing supramolecular interactions in a tpphz-bridged Ru(ii)/Au(iii) complex
PublikacjaThe synthesis and characterization of a mixed metal ruthenium(II)/gold(III) complex bridged by tetrapyridophenazine (tpphz) are described. It is isostructural and isoelectronic to the well-known photocatalysts with palladium(II) or platinum(II). Concentration dependent 1H-NMR spectroscopy and XRD studies show that the electrostatic repulsion between the gold(III) moieties exceeds the attractive π-stacking interaction. Theoretical...
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A coarse‐grained approach to NMR ‐data‐assisted modeling of protein structures
PublikacjaThe ESCASA algorithm for analytical estimation of proton positions from coarse-grained geometry developed in our recent work has been implemented in modeling protein structures with the highly coarse-grained UNRES model of polypeptide chains (two sites per residue) and nuclear magnetic resonance (NMR) data. A penalty function with the shape of intersecting gorges was applied to treat ambiguous distance restraints, which automatically...
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Isolation and structure of a covalent cross-link adduct between mitomycin C and DNA
PublikacjaA DNA cross-link adduct of the antitumor agent mitomycin C (MC) to DNA has been isolated and characterized; the results provide direct proof for bifunctional alkylation of DNA by MC. Exposure of MC to Micrococcus luteus DNA under reductive conditions and subsequent nuclease digestion yielded adducts formed between MC and deoxyguanosine residues. In addition to the two known monoadducts, a bisadduct was obtained. Reductive MC activation...
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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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Release Kinetics Studies of Early-Stage Volatile Secondary Oxidation Products of Rapeseed Oil Emitted during the Deep-Frying Process
PublikacjaThe research concerns the use of proton transfer reaction mass spectrometer to track real-time emissions of volatile secondary oxidation products released from rapeseed oil as a result of deep-frying of potato cubes. Therefore, it was possible to observe a sudden increase of volatile organic compound (VOC) emissions caused by immersion of the food, accompanied by a sudden release of steam from a potato cube and a decrease of the...
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Systematic Water Uptake Energetics of Yttrium-Doped Barium Zirconate—A High Resolution Thermochemical Study
PublikacjaA combination of surface area analyzer and microcalorimetry was employed to investigate the in situ water uptake energetics and the mechanism of proton incorporation in yttrium-doped barium zirconate in the temperature range 200–400 °C. The BaZr1–xYxO3 solid solutions are made with variable yttrium content (x = 10, 20, and 30 mol %) by a controlled oxidant-peroxo synthesis method. The water uptake increases as the partial pressure...
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Otwarty koncert a cappella
WydarzeniaAkademicki Chór Politechniki Gdańskiej wystąpi 29.01.2019 r. w Auli PG z repertuarem a cappella. Usłyszymy utwory, które w minionym roku zapewniły zespołowi wyróżnienia na prestiżowych festiwalach i koncertach.
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Practical Approach to Large-Scale Electronic Structure Calculations in Electrolyte Solutions via Continuum-Embedded Linear-Scaling Density Functional Theory
PublikacjaWe present the implementation of a hybrid continuum-atomistic model for including the effects of a surrounding electrolyte in large-scale density functional theory (DFT) calculations within the Order-N Electronic Total Energy Package (ONETEP) linear-scaling DFT code, which allows the simulation of large complex systems such as electrochemical interfaces. The model represents the electrolyte ions as a scalar field and the solvent...
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TINKTEP: A fully self-consistent, mutually polarizable QM/MM approach based on the AMOEBA force field
PublikacjaWe present a novel quantum mechanical/molecular mechanics (QM/MM) approach in which a quantum subsystem is coupled to a classical subsystem described by the AMOEBA polarizable force field. Our approach permits mutual polarization between the QM and MM subsystems, effected through multipolar electrostatics. Self-consistency is achieved for both the QM and MM subsystems through a total energy minimization scheme. We provide an expression...
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P.1.a.027 Association between the polymorphism of 5-HTTLPR gene and affective temperament dimensions using the TEMPS-A scale in obesity
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Eco-Friendly Ether and Ester-Urethane Prepolymer: Structure, Processing and Properties
PublikacjaThis study concerns bio-based urethane prepolymers. The relationship between the chemical structure and the thermal and processing parameters of bio-based isocyanate-terminated ether and ester-urethane prepolymers was investigated. Bio-based prepolymers were obtained with the use of bio-monomers such as bio-based diisocyanate, bio-based polyether polyol or polyester polyols. In addition to their composition, the bio-based prepolymers...
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SrCe0.9In0.1O3-δ-based reversible symmetrical Protonic Ceramic Cell
PublikacjaIn-doped SrCe0.9In0.1O3-δ (SCI) perovskite-type oxide is utilized as the solid electrolyte, as well as a component, together with SrFe0.75Mo0.25O3-δ (SFM) compound, in the composite-type electrodes to construct symmetrical Protonic Ceramic Fuel Cells (PCFC). With good mutual stability of SCI and SFM at high temperatures in water vapor-containing reducing and oxidizing conditions, as well as sufficient ionic conductivity with high...
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Microstructural Design of Ba0.5La0.5Co0.5Fe0.5O3 Perovskite Ceramics
PublikacjaBa0.5La0.5Co0.5Fe0.5O3 was synthesized in the solid-state reaction route. The influence of ball milling parameters (such as milling media size, angular velocity, and time), pelletizing pressure, and annealing parameters on the microstructure was studied. The grain size distribution and density or specific surface area changes were investigated in each approach while the individual parameters were changed. The evaluation of BLCF...
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ZINTEGROWANE ZARZĄDZANIE STREFĄ PRZYBRZEŻNĄ ORAZ URBANISTYKA – PROJEKT NOWYCH SPECJALNOŚCI NA KIERUNKU GOSPODARKA PRZESTRZENNA NA POLITECHNICE GDAŃSKIEJ
PublikacjaNa studiach II stopnia na kierunku gospodarka przestrzenna na Wydziale Architektury Politechniki Gdańskiej w 2017 r. otwierane są dwie specjalności: urbanistyka i zintegrowane zarządzanie strefą przybrzeżną. Trzon programu studiów dla obu specjalności jest wspólny i oparty na dotychczasowych standardach kształcenia na tym kierunku. Specjalność zintegrowane zarządzanie strefą przybrzeżną jest odpowiedzią na konieczność wprowadzenia...
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Microstructural and Mechanical Properties of Novel Co-Free Maraging Steel M789 Prepared by Additive Manufacturing
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Transcriptomic profiling of the salt stress response in excised leaves of the halophyte Beta vulgaris ssp. maritima
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Technology of an adhesive silicone film as drug carrier in transdermal therapy I. Analytical methods used for characterization and design of the universal elastomer layers
PublikacjaSilicone polymers possess unique properties, which make them suitable for many different applications, for example in the pharmaceutical and medical industry. To create an adhesive silicone film, the appropriate silicone components have to be chosen first. From these components two layers were made: an adhesive elastomer applied on the skin, and a non-adhesive elastomer on the other side of the film. The aim of this study was...
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Application of cyanated asphaltenes in gas-phase adsorption processes for removal of volatile organic compounds
PublikacjaThe paper presents an innovative, chemically modified (methylcyanated) asphaltene-based adsorbent that can be an inter-esting low-cost alternative for traditional adsorbents. Adsorption properties of adsorbents were examined by inverse gas chromatography technique, adsorption isotherms, and breakthrough curves. A significant increase in retention volume for pyridine, 2-pentanone, nitropropane, toluene, and 1-butanol was observed....
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Guanosine Dianions Hydrated by One to Four Water Molecules
PublikacjaIntermolecular interactions such as those present in molecule···water complexes may profoundly influence the physicochemical properties of molecules. Here, we carried out an experimental–computational study on doubly deprotonated guanosine monophosphate···water clusters, [dGMP – 2H]2–·nH2O (n = 1–4), using a combination of negative anion photoelectron spectroscopy (NIPES) with molecular dynamics (MD) and quantum chemical (QM) calculations....
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Optimization of the Relative Humidity of Reactant Gases in Hydrogen Fuel Cells Using Dynamic Impedance Measurements
PublikacjaWater management is a key factor affecting the efficiency of proton exchange membrane fuel cells (PEMFCs). The currently used monitoring methods of PEMFCs provide limited information about which processes or components that humidity has a significant impact upon. Herein, we propose the use of a novel approach of impedance measurements using a multi-sinusoidal perturbation signal, which enables impedance measurements under dynamic...
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Wartość wiedzy dla współpracy nauki i biznesu
PublikacjaBudowanie przewagi konkurencyjnej na podstawie kapitału ludzkiego stanowi istotę gospodarki opartej na wiedzy. Krytyczną wartością współczesnego przedsiębiorstwa jest zatem wiedza i kapitał intelektualny. Efektywny sposób zarządzania nimi wpływa bezpośrednio na poziom kreatywności i innowacyjności. W konsekwencji stanowi główny trzon w procesie budowania konkurencyjnej pozycji przedsiębiorstwa w dynamicznie zmieniającym się otoczeniu....
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Tendencje kształtowania przestrzeni publicznych końca XX wieku.
PublikacjaWielkie miasto nie jest już znaną i spójną przestrzenią, ale zbiorem interesujących punktów, do których dociera się komunikacyjnymi korytarzami poprzez ''puste'' obszary. Przestrzeń miasta zachowuje więc swoją ciągłość jedynie na planie urbanistycznym. W związku z powyższym coraz częściej obserwuje się zjawiska samoistnego lub planowanego tworzenia się wielocentrycznych miast metropolitalnych. Wokół historycznie ukształtowanego...
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CORPUS UTERI, Body of uterus - Female, 70 - Tissue image [6100730023433671]
Dane BadawczeThis is the histopathological image of CORPUS UTERI tissue sample obtained in Medical University Gdańsk and deposited in ZMDL-GUMED. The sample image was taken using: Pannoramic 250 3DHistech slide scanner (20x magnification) and saved to DICOM format.
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CORPUS UTERI, Body of uterus - Female, 70 - Tissue image [6100730023438471]
Dane BadawczeThis is the histopathological image of CORPUS UTERI tissue sample obtained in Medical University Gdańsk and deposited in ZMDL-GUMED. The sample image was taken using: Pannoramic 250 3DHistech slide scanner (20x magnification) and saved to DICOM format.
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CORPUS UTERI, Body of uterus - Female, 70 - Tissue image [6100730023439081]
Dane BadawczeThis is the histopathological image of CORPUS UTERI tissue sample obtained in Medical University Gdańsk and deposited in ZMDL-GUMED. The sample image was taken using: Pannoramic 250 3DHistech slide scanner (20x magnification) and saved to DICOM format.
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CORPUS UTERI, Body of uterus - Female, 70 - Tissue image [6100730023433961]
Dane BadawczeThis is the histopathological image of CORPUS UTERI tissue sample obtained in Medical University Gdańsk and deposited in ZMDL-GUMED. The sample image was taken using: Pannoramic 250 3DHistech slide scanner (20x magnification) and saved to DICOM format.
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CORPUS UTERI, Body of uterus - Female, 70 - Tissue image [6100730023435111]
Dane BadawczeThis is the histopathological image of CORPUS UTERI tissue sample obtained in Medical University Gdańsk and deposited in ZMDL-GUMED. The sample image was taken using: Pannoramic 250 3DHistech slide scanner (20x magnification) and saved to DICOM format.
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CORPUS UTERI, Body of uterus - Female, 70 - Tissue image [6100730023431121]
Dane BadawczeThis is the histopathological image of CORPUS UTERI tissue sample obtained in Medical University Gdańsk and deposited in ZMDL-GUMED. The sample image was taken using: Pannoramic 250 3DHistech slide scanner (20x magnification) and saved to DICOM format.
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CORPUS UTERI, Body of uterus - Female, 70 - Tissue image [6100730023438501]
Dane BadawczeThis is the histopathological image of CORPUS UTERI tissue sample obtained in Medical University Gdańsk and deposited in ZMDL-GUMED. The sample image was taken using: Pannoramic 250 3DHistech slide scanner (20x magnification) and saved to DICOM format.
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CORPUS UTERI, Body of uterus - Female, 70 - Tissue image [6100730023437971]
Dane BadawczeThis is the histopathological image of CORPUS UTERI tissue sample obtained in Medical University Gdańsk and deposited in ZMDL-GUMED. The sample image was taken using: Pannoramic 250 3DHistech slide scanner (20x magnification) and saved to DICOM format.
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Waterborne polyesters partially based on renewable resources
PublikacjaA new experimental approach for preparing biobased, water-soluble polyesters via titanium(IV) n-butoxide-catalyzed bulk polycondensation is presented. In the described method polymers were obtained from isosorbide, maleic anhydride and poly(ethylene glycol). The chemical structure of the synthesized polyesters was confirmed using 2D NMR spectroscopy and by titration methods. Careful analysis of 2D NMR spectra viz. Correlation Spectra...
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Assessment of Fuel Cells’ State of Health by Low-Frequency Noise Measurements
PublikacjaWe proposed applying low-frequency (flicker) noise in proton-exchange membrane fuel cells under selected loads to assess their state of health. The measurement set-up comprised a precise data acquisition board and was able to record the DC voltage and its random component at the output. The set-up estimated the voltage noise power spectral density at frequencies up to a few hundred mHz. We observed the evolution of the electrical...
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Magnetic field effects in dye-sensitized and organic solar cells
PublikacjaThe charge recombination and exciton dissociation are generally recognized as the basic electronic processes limiting the efficiency of photovoltaic devices. The aim of this thesis is to understand the electronic processes limiting the operation of efficient solar cells with particular emphasis on the role of electronic states endowed with magnetic dipole moment. The research work is divided into two parts. The first part deals...
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Real-time monitoring of the emission of volatile organic compounds from polylactide 3D printing filaments
PublikacjaEstablishing the emission profile of volatile organic compounds generated during fused deposition modeling 3D printing using polymer filaments is important in terms of both understanding the processes taking place during thermal degradation of thermoplastics, and assessing the user's exposure to potentially harmful volatiles. However, obtaining detailed, real-time qualitative and quantitative results poses a challenge. In this...
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Liquefaction of alder wood as the source of renewable and sustainable polyols for preparation of polyurethane resins
PublikacjaLiquefaction of wood-based biomass gives different polyol properties depending on the reagents used. In this article, alder wood sawdust was liquefied with glycerol and poly(ethylene glycol) solvents. Liquefaction reactions were carried out at temperatures of 120, 150 and 170 °C. The obtained bio-polyols were analyzed in order to establish the process efficiency, hydroxyl number, acid value, viscosity and structural characteristics...
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CORPUS UTERI, Body of uterus - Female, 70 - Tissue image [6100730023433401]
Dane BadawczeThis is the histopathological image of CORPUS UTERI tissue sample obtained in Medical University Gdańsk and deposited in ZMDL-GUMED. The sample image was taken using: Pannoramic 250 3DHistech slide scanner (20x magnification) and saved to DICOM format.
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CORPUS UTERI, Body of uterus - Female, 70 - Tissue image [6100730023438521]
Dane BadawczeThis is the histopathological image of CORPUS UTERI tissue sample obtained in Medical University Gdańsk and deposited in ZMDL-GUMED. The sample image was taken using: Pannoramic 250 3DHistech slide scanner (20x magnification) and saved to DICOM format.
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Continuum orbitals in low energy scattering of electrons from Ar, Kr, Xe, Rn and Og atoms
Dane BadawczeThe dataset includes relativistic continuum electron wave functions (continuum orbitals, continuum spinors) for elastic scattering of electrons from Argon (Ar), Krypton (Kr), Xenon (Xe), Radon (Rn) and Oganesson (Og) atoms, calculated using the Multiconfiguration Dirac-Hartree-Fock method (MCDHF), at very low electron energies (0.0001 - 0.001 eV). Only...
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Porous biomaterial for orthopaedic implants based on titanium alloy
PublikacjaTytan i jego stopy są szeroko stosowane jako biomateriały dla zastosowań ortopedycznych. Badania związane z ich najlepszą odpornością na korozję i ścieranie, biozgodnością i bioaktywnością są stale prowadzone. Obecne badania koncentrują się również na projektowaniu i produkcji materiałów porowatych w oparciu o stopy np. Ti-13Nb-13Zr, które mogą być stosowane do wytwarzania implantów. Jedną z najbardziej efektywnych metod wytwarzania...
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The influence of plasma-sprayed coatings on surface properties and corrosion resistance of 316L stainless steel for possible implant application
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Interactions of protons with furan molecules studied by collision-induced emission spectroscopy at the incident energy range of 50–1000 eV
PublikacjaInvestigations of the ion-molecule reactions provide insight into many fields ranging from the stellar wind interaction with interstellar media, up to medicine and industrial applications. Besides the applications, the understanding of these processes is itself a problem of fundamental importance. Thus, interactions of protons with the gas-phase furan molecules have been investigated for the first time in the energy range of 50–1000...
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Interfacially modified LDPE/GTR composites with non-polar elastomers: From microstructure to macro-behavior
PublikacjaThis paper provides some new insights into the mechanism of interaction and modifications in thermoplastic composites based on low density polyethylene (LDPE), ground tire rubber (GTR) and non-polar elastomer. The composites were prepared using a co-rotating twin-screw extruder at variable LDPE/GTR ratio and constant elastomer content. Two types of commercial elastomer were applied: styrene-butadiene-styrene (SBS) block copolymers (Kraton®)...
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Water uptake kinetics and electrical transport in BaCe0.6Zr0.2Y0.1M0.1O3−δ (M = Tb, Pr, Fe) protonic conductors
PublikacjaBaCe0.6Zr0.2Y0.1M0.1O3−d (M = Fe, Pr, Tb) is a mixed conducting oxide in which three mobile charge carriers – oxygen ion, electron/hole, and protonic defects – are present. These types of materials have gained much interest as electrode materials for protonic ceramic fuel cells (PCFCs) and protonic ceramic electrolysis cells (PCECs). In this study, the water uptake and oxygen transport properties of different BaCe0.6Zr0.2Y0.1M0.1O3−d...
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Understanding the early-stage release of volatile organic compounds from rapeseed oil during deep-frying of tubers by targeted and omics-inspired approaches using PTR-MS and gas chromatography
PublikacjaDuring deep-frying, a plethora of volatile products is emitted with the fumes. These compounds could act as oil quality indicators and change the indoor air composition leading to health risks for occupants. The presented experiments focus on deep-frying of different tubers in rapeseed oil at different frying temperatures. Here, two scenarios for real-time monitoring of volatile organic compounds (VOCs) using proton transfer reaction...
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Koncert Wielkopostny Akademickiego Chóru PG
WydarzeniaProf. Krzysztof Wilde, rektor PG, zaprasza całą społeczność Politechniki Gdańskiej oraz mieszkańców Gdańska i okolic na wyjątkowy koncert wielkopostny, który odbędzie się 25.02 o godz. 19:00 w Archikatedrze Oliwskiej.
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Rekuperace elektrické energie v MHD
PublikacjaAsynchronní pohony, motory BLDC, trakční invertory, IGBT tranzistory, rekuperace energie – to jsou hesla, se kterými se můžeme často potkat, když si pročteme propagační materiály výrobců moderních tramvají a trolejbusů. Často se nám tyto prvky jeví jako indikátory hypermoderních technologií, ale ve skutečnosti se stává, že pod některými názvy se skrývá řešení známé inženýrům už dlouhá desetiletí. Tak je tomu také s rekuperací elektrické...
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Molecular geometry of phenylboronic acid
Dane BadawczeData presents molecular geometry of the ground singlet state of phenylboronic acid. The geometry was obtained via DFT calculations using Becke–Lee–Yang–Parr density functional (B3LYP) with the balanced polarized triple-zeta def2-TZVP basis set. Geometry is provided in the XYZ file format.
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Molecular geometry of hexachlorobenzene
Dane BadawczePresented data shows molecular geometry of the ground singlet state of hexachlorobenzene and hexachlorobenzene with potassium atom in 10 angstrom distance. The geometry was obtained via MP2 and CCSD calculations using balanced polarized triple-zeta def2-TZVP basis set. Geometry is provided in the XYZ file format.