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Search results for: molecular dynamics simulations
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Ocean mixed layer dynamics: high-resolution simulations of wind, wave and convective effects
Open Research DataThis dataset contains results of high-resolution numerical simulations of the ocean mixed layer (OML) forced by wind, waves and cooling from the atmosphere, i.e., under strongly turbulent, convective conditions. The goal is to provide detailed, three-dimensional information about OML circulation, turbulent kinetic energy, and temperature and salinity...
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The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry
Open Research DataThe developments of the open-source OpenMolcas chemistry software environment since spring 2020 are described, with a focus on novel functionalities accessible in the stable branch of the package or via interfaces with other packages. These developments span a wide range of topics in computational chemistry and are presented in thematic sections: electronic...
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Optimization of the femtosecond laser impulse for excitation and the spin-orbit-mediated dissociation in the NaRb molecule
Open Research DataHigh accuracy ab initio potential energy curves (1tSigma+, 2sSigma+, 1tPi), electronic transition dipole moment function (1tSigma+ - 1tPi), and spin-orbit coupling (2sSigma+ - 1tPi) have been calculated for the NaRb molecule. The time-dependent excitation and dissociation processes in the polar alkali diatomic NaRb molecule and the quantum properties...
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WRF-METEOPG: numerical weather forecast data for Poland - Days 218-224, Year 2021
Open Research DataWRF-METEOPG is a numerical weather forecast system developed at the Faculty of Civil and Environmental Engineering, Gdansk University of Technology, Poland. The system was built on the basis of the Weather Research and Forecast model version 4.2 and implemented at Centre of Informatics Tricity Academic Supercomputer & Network. Physics parametrization...
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WRF-METEOPG: numerical weather forecast data for Poland - Days 239-245, Year 2021
Open Research DataWRF-METEOPG is a numerical weather forecast system developed at the Faculty of Civil and Environmental Engineering, Gdansk University of Technology, Poland. The system was built on the basis of the Weather Research and Forecast model version 4.2 and implemented at Centre of Informatics Tricity Academic Supercomputer & Network. Physics parametrization...
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WRF-METEOPG: numerical weather forecast data for Poland - Days 225-231, Year 2021
Open Research DataWRF-METEOPG is a numerical weather forecast system developed at the Faculty of Civil and Environmental Engineering, Gdansk University of Technology, Poland. The system was built on the basis of the Weather Research and Forecast model version 4.2 and implemented at Centre of Informatics Tricity Academic Supercomputer & Network. Physics parametrization...
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WRF-METEOPG: numerical weather forecast data for Poland - Days 267-273, Year 2021
Open Research DataWRF-METEOPG is a numerical weather forecast system developed at the Faculty of Civil and Environmental Engineering, Gdansk University of Technology, Poland. The system was built on the basis of the Weather Research and Forecast model version 4.2 and implemented at Centre of Informatics Tricity Academic Supercomputer & Network. Physics parametrization...
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WRF-METEOPG: numerical weather forecast data for Poland - Days 281-287, Year 2021
Open Research DataWRF-METEOPG is a numerical weather forecast system developed at the Faculty of Civil and Environmental Engineering, Gdansk University of Technology, Poland. The system was built on the basis of the Weather Research and Forecast model version 4.2 and implemented at Centre of Informatics Tricity Academic Supercomputer & Network. Physics parametrization...
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WRF-METEOPG: numerical weather forecast data for Poland - Days 295-301, Year 2021
Open Research DataWRF-METEOPG is a numerical weather forecast system developed at the Faculty of Civil and Environmental Engineering, Gdansk University of Technology, Poland. The system was built on the basis of the Weather Research and Forecast model version 4.2 and implemented at Centre of Informatics Tricity Academic Supercomputer & Network. Physics parametrization...
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WRF-METEOPG: numerical weather forecast data for Poland - Days 211-217, Year 2021
Open Research DataWRF-METEOPG is a numerical weather forecast system developed at the Faculty of Civil and Environmental Engineering, Gdansk University of Technology, Poland. The system was built on the basis of the Weather Research and Forecast model version 4.2 and implemented at Centre of Informatics Tricity Academic Supercomputer & Network. Physics parametrization...
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WRF-METEOPG: numerical weather forecast data for Poland - Days 302-308, Year 2021
Open Research DataWRF-METEOPG is a numerical weather forecast system developed at the Faculty of Civil and Environmental Engineering, Gdansk University of Technology, Poland. The system was built on the basis of the Weather Research and Forecast model version 4.2 and implemented at Centre of Informatics Tricity Academic Supercomputer & Network. Physics parametrization...
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WRF-METEOPG: numerical weather forecast data for Poland - Days 253-259, Year 2021
Open Research DataWRF-METEOPG is a numerical weather forecast system developed at the Faculty of Civil and Environmental Engineering, Gdansk University of Technology, Poland. The system was built on the basis of the Weather Research and Forecast model version 4.2 and implemented at Centre of Informatics Tricity Academic Supercomputer & Network. Physics parametrization...
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WRF-METEOPG: numerical weather forecast data for Poland - Days 274-280, Year 2021
Open Research DataWRF-METEOPG is a numerical weather forecast system developed at the Faculty of Civil and Environmental Engineering, Gdansk University of Technology, Poland. The system was built on the basis of the Weather Research and Forecast model version 4.2 and implemented at Centre of Informatics Tricity Academic Supercomputer & Network. Physics parametrization...
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WRF-METEOPG: numerical weather forecast data for Poland - Days 246-252, Year 2021
Open Research DataWRF-METEOPG is a numerical weather forecast system developed at the Faculty of Civil and Environmental Engineering, Gdansk University of Technology, Poland. The system was built on the basis of the Weather Research and Forecast model version 4.2 and implemented at Centre of Informatics Tricity Academic Supercomputer & Network. Physics parametrization...
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WRF-METEOPG: numerical weather forecast data for Poland - Days 288-294, Year 2021
Open Research DataWRF-METEOPG is a numerical weather forecast system developed at the Faculty of Civil and Environmental Engineering, Gdansk University of Technology, Poland. The system was built on the basis of the Weather Research and Forecast model version 4.2 and implemented at Centre of Informatics Tricity Academic Supercomputer & Network. Physics parametrization...
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WRF-METEOPG: numerical weather forecast data for Poland - Days 260-266, Year 2021
Open Research DataWRF-METEOPG is a numerical weather forecast system developed at the Faculty of Civil and Environmental Engineering, Gdansk University of Technology, Poland. The system was built on the basis of the Weather Research and Forecast model version 4.2 and implemented at Centre of Informatics Tricity Academic Supercomputer & Network. Physics parametrization...
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WRF-METEOPG: numerical weather forecast data for Poland - Days 232-238, Year 2021
Open Research DataWRF-METEOPG is a numerical weather forecast system developed at the Faculty of Civil and Environmental Engineering, Gdansk University of Technology, Poland. The system was built on the basis of the Weather Research and Forecast model version 4.2 and implemented at Centre of Informatics Tricity Academic Supercomputer & Network. Physics parametrization...
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WRF-METEOPG: numerical weather forecast data for Poland - Days 204-210, Year 2021
Open Research DataWRF-METEOPG is a numerical weather forecast system developed at the Faculty of Civil and Environmental Engineering, Gdansk University of Technology, Poland. The system was built on the basis of the Weather Research and Forecast model version 4.2 and implemented at Centre of Informatics Tricity Academic Supercomputer & Network. Physics parametrization...
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WRF-METEOPG: numerical weather forecast data for Poland - Days 1-7, Year 2021
Open Research DataWRF-METEOPG is a numerical weather forecast system developed at the Faculty of Civil and Environmental Engineering, Gdansk University of Technology, Poland. The system was built on the basis of the Weather Research and Forecast model version 4.2 and implemented at Centre of Informatics Tricity Academic Supercomputer & Network. Physics parametrization...
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WRF-METEOPG: numerical weather forecast data for Poland - Days 71-77, Year 2021
Open Research DataWRF-METEOPG is a numerical weather forecast system developed at the Faculty of Civil and Environmental Engineering, Gdansk University of Technology, Poland. The system was built on the basis of the Weather Research and Forecast model version 4.2 and implemented at Centre of Informatics Tricity Academic Supercomputer & Network. Physics parametrization...
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WRF-METEOPG: numerical weather forecast data for Poland - Days 36-42, Year 2021
Open Research DataWRF-METEOPG is a numerical weather forecast system developed at the Faculty of Civil and Environmental Engineering, Gdansk University of Technology, Poland. The system was built on the basis of the Weather Research and Forecast model version 4.2 and implemented at Centre of Informatics Tricity Academic Supercomputer & Network. Physics parametrization...
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WRF-METEOPG: numerical weather forecast data for Poland - Days 57-63, Year 2021
Open Research DataWRF-METEOPG is a numerical weather forecast system developed at the Faculty of Civil and Environmental Engineering, Gdansk University of Technology, Poland. The system was built on the basis of the Weather Research and Forecast model version 4.2 and implemented at Centre of Informatics Tricity Academic Supercomputer & Network. Physics parametrization...
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WRF-METEOPG: numerical weather forecast data for Poland - Days 78-84, Year 2021
Open Research DataWRF-METEOPG is a numerical weather forecast system developed at the Faculty of Civil and Environmental Engineering, Gdansk University of Technology, Poland. The system was built on the basis of the Weather Research and Forecast model version 4.2 and implemented at Centre of Informatics Tricity Academic Supercomputer & Network. Physics parametrization...
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WRF-METEOPG: numerical weather forecast data for Poland - Days 85-91, Year 2021
Open Research DataWRF-METEOPG is a numerical weather forecast system developed at the Faculty of Civil and Environmental Engineering, Gdansk University of Technology, Poland. The system was built on the basis of the Weather Research and Forecast model version 4.2 and implemented at Centre of Informatics Tricity Academic Supercomputer & Network. Physics parametrization...
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WRF-METEOPG: numerical weather forecast data for Poland - Days 8-14, Year 2021
Open Research DataWRF-METEOPG is a numerical weather forecast system developed at the Faculty of Civil and Environmental Engineering, Gdansk University of Technology, Poland. The system was built on the basis of the Weather Research and Forecast model version 4.2 and implemented at Centre of Informatics Tricity Academic Supercomputer & Network. Physics parametrization...
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WRF-METEOPG: numerical weather forecast data for Poland - Days 50-56, Year 2021
Open Research DataWRF-METEOPG is a numerical weather forecast system developed at the Faculty of Civil and Environmental Engineering, Gdansk University of Technology, Poland. The system was built on the basis of the Weather Research and Forecast model version 4.2 and implemented at Centre of Informatics Tricity Academic Supercomputer & Network. Physics parametrization...
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WRF-METEOPG: numerical weather forecast data for Poland - Days 22-28, Year 2021
Open Research DataWRF-METEOPG is a numerical weather forecast system developed at the Faculty of Civil and Environmental Engineering, Gdansk University of Technology, Poland. The system was built on the basis of the Weather Research and Forecast model version 4.2 and implemented at Centre of Informatics Tricity Academic Supercomputer & Network. Physics parametrization...
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WRF-METEOPG: numerical weather forecast data for Poland - Days 64-70, Year 2021
Open Research DataWRF-METEOPG is a numerical weather forecast system developed at the Faculty of Civil and Environmental Engineering, Gdansk University of Technology, Poland. The system was built on the basis of the Weather Research and Forecast model version 4.2 and implemented at Centre of Informatics Tricity Academic Supercomputer & Network. Physics parametrization...
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WRF-METEOPG: numerical weather forecast data for Poland - Days 29-35, Year 2021
Open Research DataWRF-METEOPG is a numerical weather forecast system developed at the Faculty of Civil and Environmental Engineering, Gdansk University of Technology, Poland. The system was built on the basis of the Weather Research and Forecast model version 4.2 and implemented at Centre of Informatics Tricity Academic Supercomputer & Network. Physics parametrization...
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WRF-METEOPG: numerical weather forecast data for Poland - Days 43-49, Year 2021
Open Research DataWRF-METEOPG is a numerical weather forecast system developed at the Faculty of Civil and Environmental Engineering, Gdansk University of Technology, Poland. The system was built on the basis of the Weather Research and Forecast model version 4.2 and implemented at Centre of Informatics Tricity Academic Supercomputer & Network. Physics parametrization...
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WRF-METEOPG: numerical weather forecast data for Poland - Days 15-21, Year 2021
Open Research DataWRF-METEOPG is a numerical weather forecast system developed at the Faculty of Civil and Environmental Engineering, Gdansk University of Technology, Poland. The system was built on the basis of the Weather Research and Forecast model version 4.2 and implemented at Centre of Informatics Tricity Academic Supercomputer & Network. Physics parametrization...
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WRF-METEOPG: numerical weather forecast data for Poland - Days 99-105, Year 2021
Open Research DataWRF-METEOPG is a numerical weather forecast system developed at the Faculty of Civil and Environmental Engineering, Gdansk University of Technology, Poland. The system was built on the basis of the Weather Research and Forecast model version 4.2 and implemented at Centre of Informatics Tricity Academic Supercomputer & Network. Physics parametrization...
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WRF-METEOPG: numerical weather forecast data for Poland - Days 113-119, Year 2021
Open Research DataWRF-METEOPG is a numerical weather forecast system developed at the Faculty of Civil and Environmental Engineering, Gdansk University of Technology, Poland. The system was built on the basis of the Weather Research and Forecast model version 4.2 and implemented at Centre of Informatics Tricity Academic Supercomputer & Network. Physics parametrization...
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WRF-METEOPG: numerical weather forecast data for Poland - Days 141-147, Year 2021
Open Research DataWRF-METEOPG is a numerical weather forecast system developed at the Faculty of Civil and Environmental Engineering, Gdansk University of Technology, Poland. The system was built on the basis of the Weather Research and Forecast model version 4.2 and implemented at Centre of Informatics Tricity Academic Supercomputer & Network. Physics parametrization...
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WRF-METEOPG: numerical weather forecast data for Poland - Days 134-140, Year 2021
Open Research DataWRF-METEOPG is a numerical weather forecast system developed at the Faculty of Civil and Environmental Engineering, Gdansk University of Technology, Poland. The system was built on the basis of the Weather Research and Forecast model version 4.2 and implemented at Centre of Informatics Tricity Academic Supercomputer & Network. Physics parametrization...
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WRF-METEOPG: numerical weather forecast data for Poland - Days 92-98, Year 2021
Open Research DataWRF-METEOPG is a numerical weather forecast system developed at the Faculty of Civil and Environmental Engineering, Gdansk University of Technology, Poland. The system was built on the basis of the Weather Research and Forecast model version 4.2 and implemented at Centre of Informatics Tricity Academic Supercomputer & Network. Physics parametrization...
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WRF-METEOPG: numerical weather forecast data for Poland - Days 162-168, Year 2021
Open Research DataWRF-METEOPG is a numerical weather forecast system developed at the Faculty of Civil and Environmental Engineering, Gdansk University of Technology, Poland. The system was built on the basis of the Weather Research and Forecast model version 4.2 and implemented at Centre of Informatics Tricity Academic Supercomputer & Network. Physics parametrization...
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WRF-METEOPG: numerical weather forecast data for Poland - Days 169-175, Year 2021
Open Research DataWRF-METEOPG is a numerical weather forecast system developed at the Faculty of Civil and Environmental Engineering, Gdansk University of Technology, Poland. The system was built on the basis of the Weather Research and Forecast model version 4.2 and implemented at Centre of Informatics Tricity Academic Supercomputer & Network. Physics parametrization...
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WRF-METEOPG: numerical weather forecast data for Poland - Days 120-126, Year 2021
Open Research DataWRF-METEOPG is a numerical weather forecast system developed at the Faculty of Civil and Environmental Engineering, Gdansk University of Technology, Poland. The system was built on the basis of the Weather Research and Forecast model version 4.2 and implemented at Centre of Informatics Tricity Academic Supercomputer & Network. Physics parametrization...
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WRF-METEOPG: numerical weather forecast data for Poland - Days 148-154, Year 2021
Open Research DataWRF-METEOPG is a numerical weather forecast system developed at the Faculty of Civil and Environmental Engineering, Gdansk University of Technology, Poland. The system was built on the basis of the Weather Research and Forecast model version 4.2 and implemented at Centre of Informatics Tricity Academic Supercomputer & Network. Physics parametrization...
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WRF-METEOPG: numerical weather forecast data for Poland - Days 155-161, Year 2021
Open Research DataWRF-METEOPG is a numerical weather forecast system developed at the Faculty of Civil and Environmental Engineering, Gdansk University of Technology, Poland. The system was built on the basis of the Weather Research and Forecast model version 4.2 and implemented at Centre of Informatics Tricity Academic Supercomputer & Network. Physics parametrization...
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WRF-METEOPG: numerical weather forecast data for Poland - Days 127-133, Year 2021
Open Research DataWRF-METEOPG is a numerical weather forecast system developed at the Faculty of Civil and Environmental Engineering, Gdansk University of Technology, Poland. The system was built on the basis of the Weather Research and Forecast model version 4.2 and implemented at Centre of Informatics Tricity Academic Supercomputer & Network. Physics parametrization...
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WRF-METEOPG: numerical weather forecast data for Poland - Days 106-112, Year 2021
Open Research DataWRF-METEOPG is a numerical weather forecast system developed at the Faculty of Civil and Environmental Engineering, Gdansk University of Technology, Poland. The system was built on the basis of the Weather Research and Forecast model version 4.2 and implemented at Centre of Informatics Tricity Academic Supercomputer & Network. Physics parametrization...
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WRF-METEOPG: numerical weather forecast data for Poland - Days 197-203, Year 2021
Open Research DataWRF-METEOPG is a numerical weather forecast system developed at the Faculty of Civil and Environmental Engineering, Gdansk University of Technology, Poland. The system was built on the basis of the Weather Research and Forecast model version 4.2 and implemented at Centre of Informatics Tricity Academic Supercomputer & Network. Physics parametrization...
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WRF-METEOPG: numerical weather forecast data for Poland - Days 190-196, Year 2021
Open Research DataWRF-METEOPG is a numerical weather forecast system developed at the Faculty of Civil and Environmental Engineering, Gdansk University of Technology, Poland. The system was built on the basis of the Weather Research and Forecast model version 4.2 and implemented at Centre of Informatics Tricity Academic Supercomputer & Network. Physics parametrization...
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WRF-METEOPG: numerical weather forecast data for Poland - Days 183-189, Year 2021
Open Research DataWRF-METEOPG is a numerical weather forecast system developed at the Faculty of Civil and Environmental Engineering, Gdansk University of Technology, Poland. The system was built on the basis of the Weather Research and Forecast model version 4.2 and implemented at Centre of Informatics Tricity Academic Supercomputer & Network. Physics parametrization...
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WRF-METEOPG: numerical weather forecast data for Poland - Days 176-182, Year 2021
Open Research DataWRF-METEOPG is a numerical weather forecast system developed at the Faculty of Civil and Environmental Engineering, Gdansk University of Technology, Poland. The system was built on the basis of the Weather Research and Forecast model version 4.2 and implemented at Centre of Informatics Tricity Academic Supercomputer & Network. Physics parametrization...
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Autocorrelation function for the chosen effective potential of the diatomic silver anion
Open Research DataThe process of a two-channel decay of the diatomic silver anion (Ag2-), namely the spontaneous electron ejection giving Ag2 + e- and the dissociation leading to Ag- + Ag is theoretically studied. The ground state potential energy curves (PECs) of the neutral silver dimer and anionic silver diatomic molecule are calculated using the single reference...
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Non-adiabatic coupling elements between the diatomic silver anion and neutral silver dimer plus continuum electron
Open Research DataThe process of a two-channel decay of the diatomic silver anion (Ag2-), namely the spontaneous electron ejection giving Ag2 + e- and the dissociation leading to Ag- + Ag is theoretically studied. The ground state potential energy curves (PECs) of the neutral silver dimer and anionic silver diatomic molecule are calculated using the single reference...
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Molecular geometry of hexachlorobenzene
Open Research DataPresented 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.