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Search results for: LiCs
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Potential energy curves of LiCs dimer
Open Research DataThis data presents potential energy curves of LiCs dimer in Hund's case (a). Calculated using Born-Oppenheimer approximation with scalar relativistic effects are included via large effective core potentials. Custom basis sets, core polarization potentials and MRCI method are used to accurately describe electron correlation. Dataset consists of 22 potential...
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Potential energy surfaces of the low-lying electronic states of the Li+LiCs system
Open Research DataThis data presents potential energy surfaces of Li atom interacting with LiCs dimer for the ground and first excited state. They were calculated using effective core potentials and MRCI method and include relativistic effects. The interatomic distance in the dimer is kept constant and equal to experimental value of 6.931704423 bohrs (3.6681 A). Energy...
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Adiabatic potential energy curves of the 3, 4 and 5^1Σ^+ excited states of LiCs molecule
Open Research DataAdiabatic potential energy curves of the 3, 4, and 5^1Σ^+ excited states have been calculated for the LiCs molecule. The results of three excited states of the symmetry Σ^+ have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction of valence electrons with atomic...
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Evaluation of the electrochemical performance of CPMD in ZICs with 3M ZnSO4 electrolyte
Open Research DataThese data contain the results of the electrochemical performance measurements of CPMD in ZICs with 3M ZnSO4 electrolyte, incl. CGD (galvanostatic charge-discharge ) curve and cycling stability of CPMD. Sample abbreviations (CPMD) are in agreement with the markings used in the linked publication.
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Minimum inhibitory concentrations (MICs) determination of selected human topoisomerase II alpha and bacterial DNA gyrase inhibitors against fungal strains
Open Research DataThe datasets contain the results of determining the MIC (Minimal Inhibitory Concentration) value of known compounds* (inhibitors of human topoisomerase II alpha and bacterial DNA gyrase) against C. albicans SC5314, C. glabrata ATCC 90030, C. krusei ATCC 6258 and C. parapsilosis ATCC 22019 and Saccharomyces cerevisiae ATCC 9763 by the modified M27-A3...
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Ex-situ XRD (X-ray Diffraction) results for electrodes under different charge/discharge states
Open Research DataEx-situ XRD was employed to analyze the energy storage mechanism of CPMD in ZICs system. The ZICs were firstly charged to 1.8 V from the open circuit voltage (at around 1.3 V), then discharge to 1.0 V and 0.2 V, and finally recharged to 1.0 V and 1.8 V. Sample abbreviations (CPMD) are in agreement with the markings used in the linked publication.
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SegSperm - a dataset of sperm images for blurry and small object segmentation
Open Research DataMany deep learning applications require figure-ground segmentation. The performance of segmentation models varies across modalities and acquisition settings.
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Long term measurements of PM1, PM2.5, PM10 and NO2 in open-air at Gdansk (Poland) area using low-cost sensors together with the reference results
Open Research DataThe measurements results of open-air measurements made using the following low-cost sensors: particulate matter (PM) sensor SPS30 from Sensirion, NO2 electrochemical sensor SGX-7NO2 from SGX Sensortech, NO2 electrochemical sensor 7E4-NO2 from SemaTech, compact MOS air quality sensor MiCS 2714 from SGX Sensortech, BME280 (Bosch) environmental sensor...