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Wyniki wyszukiwania dla: gurtin-murdoch approach
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The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry
Dane BadawczeThe 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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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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Results of electrical voltage measurements in reactors - part 1
Dane BadawczeResults of electric voltage measurements in six reactors using various plantings. These are the results of the project: Integrated approach 3M (Macrophytes-Microbiome-Modelling) to elucidate mechanisms of bioenergy production and micropollutants transformation in Floating Treatment Wetlands combined with Microbial Fuel Cells.
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Automatically created and partially veriffied Wikipedia - WordNet mappings
Dane BadawczeMapping between Wikipedia articles and WordNet synsets. The mappings between Wikipedia articles and WordNet synsets were obtained automatically using 4 algorithms of data processing. The automatically generated mappings were than a subject of verification by a group of volunteers using crowdsourcing approach through so called Games with a Purpose. The...
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Results and models for Novel high frequency components with non-conventional shape employing smooth geometry deformation of 3D solid with FFD
Dane BadawczeThe project aims to investigate the possibility of developing and manufacturing novel high frequency devices having non-standard geometries, allowing for improved electromagnetic performance over what is achievable with currently available design tools. The non-conventional geometry will be obtained by employing the free-form shape deformation technique...
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Impedance and cyclic voltammetry studies of GPLA electrodes after laser ablation
Dane BadawczeThe 3D printed GPLA electrodes present a brand new opportunity for electrode material for electrochemical biosensors. In order for the electrodes to be considered viable for electroanalysis studies, the pretreatment procedure must be applied in order to etch PLA matrix and reveal graphene filler. The following dataset presents an approach towards such...
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Tropospheric parameters derived from the selected IGS stations in the global tropics for the years 2001-2018
Dane BadawczeThis dataset contains daily GNSS-derived zenith tropospheric delay (ZTD), a posteriori corrected zenith wet delay (ZWD), and precipitable water vapour (PWV) time series. These troposphere-related data were estimated for the period between January 2001 and December 2018, for the 43 International GNSS Service (IGS) stations, located in the global tropics....
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Adiabatic potential energy curves of the singlet Pi and Delta gerade states of the Lithium dimer
Dane BadawczeAdiabatic potential energy curves of the singlet Pi and Delta gerade states have been calculated for the Lithium dimer. The results of the three excited states of the symmetries singlet Pi and Delta gerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction...
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Adiabatic potential energy curves of the triplet Sigma ungerade plus states of the Lithium dimer
Dane BadawczeAdiabatic potential energy curves of the triplet Sigma ungerade plus states have been calculated for the Lithium dimer. The results of the five excited states of the symmetry triplet Sigma ungerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction...
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Adiabatic potential energy curves of the triplet Pi gerade states of the Lithium dimer
Dane BadawczeAdiabatic potential energy curves of the triplet Pi gerade states have been calculated for the Lithium dimer. The results of the two excited states of the symmetry triplet Pi gerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction of valence electrons...
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Adiabatic potential energy curves of the singlet Sigma gerade plus states of the Lithium dimer
Dane BadawczeAdiabatic potential energy curves of the singlet Sigma gerade plus states have been calculated for the Lithium dimer. The results of the ground state and three excited states of the symmetry singlet Sigma gerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing...
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Adiabatic potential energy curves of the singlet Sigma ungerade plus states of the Lithium dimer
Dane BadawczeAdiabatic potential energy curves of the singlet Sigma ungerade plus states have been calculated for the Lithium dimer. The results of the three excited states of the symmetry singlet Sigma ungerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction...
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Adiabatic potential energy curves of the triplet Sigma gerade plus states of the Lithium dimer
Dane BadawczeAdiabatic potential energy curves of the triplet Sigma gerade plus states have been calculated for the Lithium dimer. The results of the three excited states of the symmetry triplet Sigma gerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction...
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Adiabatic potential energy curves of the triplet Pi and Delta ungerade states of the Lithium dimer
Dane BadawczeAdiabatic potential energy curves of the triplet Pi and Delta ungerade states have been calculated for the Lithium dimer. The results of the three excited states of the symmetries triplet Pi and Delta ungerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction...
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Adiabatic potential energy curves of the singlet Pi ungerade states of the Lithium dimer
Dane BadawczeAdiabatic potential energy curves of the singlet Pi ungerade states have been calculated for the Lithium dimer. The results of the two excited states of the symmetry singlet Pi ungerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction of valence electrons...
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Detection of cellulose production capacity of recombinant Escherichia coli strains BL21(DE3) and AAEC191A
Dane BadawczeBacteria that form biofilms generate an extracellular matrix (ECM), where cellulose stands out as a key constituent. An approach for assessing microorganisms' cellulose production involves using calcofluor white staining on colonies. In this method, a fluorescent dye (calcofluor-white) is introduced to a stable YESCA substrate composed of casamino acids,...
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Potential energy curves of the doublet Sigma gerade plus states of the Lithium dimer cation
Dane BadawczeAdiabatic potential energy curves of the doublet Sigma gerade plus (dSg+) states have been calculated for the Lithium dimer cation (Li2+). The results of the ground state and four excited states of the symmetry doublet Sigma gerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials...
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Potential energy curves of the doublet Sigma ungerade plus states of the Lithium dimer cation
Dane BadawczeAdiabatic potential energy curves of the doublet Sigma ungerade plus (dSu+) states have been calculated for the Lithium dimer cation (Li2+). The results of the five excited states of the symmetry doublet Sigma ungerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing...
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Potential energy curves of the doublet Pi and Delta gerade states of the Lithium dimer cation
Dane BadawczeAdiabatic potential energy curves of the doublet Pi and Delta gerade (dPg and dDg) states have been calculated for the Lithium dimer cation (Li2+). The results of the four excited states of the symmetries doublet Pi and Delta gerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials...
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Detection of cellulose production capacity of recombinant Escherichia coli strains BL21(DE3) and AAEC191A
Dane BadawczeBacteria that form biofilms generate an extracellular matrix (ECM), where cellulose stands out as a key constituent. An approach for assessing microorganisms' cellulose production involves using calcofluor white staining on colonies. In this method, a fluorescent dye (calcofluor-white) is introduced to a stable YESCA substrate composed of casamino acids,...
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Potential energy curves of the doublet Pi and Delta ungerade states of the Lithium dimer cation
Dane BadawczeAdiabatic potential energy curves of the doublet Pi and Delta ungerade (dPu and dDu) states have been calculated for the Lithium dimer cation (Li2+). The results of the four excited states of the symmetries doublet Pi and Delta ungerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials...
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Detection of cellulose production capacity of recombinant Escherichia coli strains BL21(DE3) and AAEC191A
Dane BadawczeBacteria that form biofilms generate an extracellular matrix (ECM), where cellulose stands out as a key constituent. An approach for assessing microorganisms' cellulose production involves using calcofluor white staining on colonies. In this method, a fluorescent dye (calcofluor-white) is introduced to a stable YESCA substrate composed of casamino acids,...
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Detection of cellulose production capacity of recombinant Escherichia coli strains BL21(DE3) and AAEC191A
Dane BadawczeBacteria that form biofilms generate an extracellular matrix (ECM), where cellulose stands out as a key constituent. An approach for assessing microorganisms' cellulose production involves using calcofluor white staining on colonies. In this method, a fluorescent dye (calcofluor-white) is introduced to a stable YESCA substrate composed of casamino acids,...
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Transition dipole moment functions of the KRb molecule
Dane BadawczeElectronic transition dipole moment functions (TDMF) have been calculated for the singlet (s) and triplet (t) Sigma+ (S+), Pi (P), and Delta (D) electronic states of the KRb molecule. TDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. All results of the transition dipole moments...
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Permanent dipole moment functions of the KRb molecule
Dane BadawczeElectronic permanent dipole moment functions (PDMF) have been calculated for the singlet (s) and triplet (t) Sigma+, Sigma-, Pi, and Delta electronic states of the KRb molecule. PDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. All results of the permanent dipole moments have been...
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Born-Oppenheimer potential energy curves of the NaK molecule
Dane BadawczeAdiabatic potential energy curves (APEC) of the singlet (s) and triplet (t) Sigma+, Pi, and Delta electronic states have been calculated for the NaK molecule. All results of the presented molecular states have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction...
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The effect of interview location on the perception of Ecosystem Services provided by trees. A Polish case study.
Dane BadawczeSeveral survey research methods are available to study attitudes towards the environment, including: CAWI (computer-assisted Internet interview), CATI (computer-assisted telephone interview), CAPI (computer-assisted personal interview), and PAPI (paper-pencil interview). An increasingly popular CAWI approach is the geo-questionnaire – an internet survey...
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Electronic transition dipole moment functions of the first singlet Delta gerade and first triplet Delta ungerade states of the Lithium dimer
Dane BadawczeElectronic transition dipole moment functions (ETDMF) of the first singlet Delta gerade (1sDg) and first triplet Delta ungerade (1tDu) states have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the four ETDMFs have been obtained...
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Electronic transition dipole moment functions of the second triplet Sigma ungerade plus state of the Lithium dimer
Dane BadawczeElectronic transition dipole moment functions (ETDMF) of the second triplet Sigma ungerade plus (2tSu+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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Electronic transition dipole moment functions of the second singlet Sigma ungerade plus and second triplet Sigma gerade plus states of the Lithium dimer
Dane BadawczeElectronic transition dipole moment functions (ETDMF) of the second singlet Sigma ungerade plus (2sSu+) and second triplet Sigma gerade plus (2tSg+) states have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the four ETDMFs...
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Adiabatic potential energy curves of the KRb molecule
Dane BadawczeAdiabatic potential energy curves (APEC) of the singlet (s) and triplet (t) Sigma+, Sigma-, Pi, and Delta electronic states have been calculated for the KRb molecule. Presented APECs correlate with 11 atomic asymptotes, starting from ground K(4s)+Rb(5s) atomic limit and ending on double-excited K(4p)+Rb(5p) atomic limit. All results of the presented...
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Electronic transition dipole moment functions of the third singlet Sigma gerade plus state of the Lithium dimer
Dane BadawczeElectronic transition dipole moment functions (ETDMF) of the third singlet Sigma gerade plus (3sSg+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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Electronic transition dipole moment functions of the first singlet Sigma ungerade plus and first triplet Sigma gerade plus states of the Lithium dimer
Dane BadawczeElectronic transition dipole moment functions (ETDMF) of the first singlet Sigma ungerade plus (1sSu+) and first triplet Sigma gerade plus (1tSg+) states have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the four ETDMFs...
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Electronic transition dipole moment functions of the third triplet Sigma ungerade plus state of the Lithium dimer
Dane BadawczeElectronic transition dipole moment functions (ETDMF) of the third triplet Sigma ungerade plus (3tSu+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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Electronic transition dipole moment functions of the fourth triplet Sigma ungerade plus state of the Lithium dimer
Dane BadawczeElectronic transition dipole moment functions (ETDMF) of the fourth triplet Sigma ungerade plus (4tSu+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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Electronic transition dipole moment functions of the fourth singlet Sigma gerade plus state of the Lithium dimer
Dane BadawczeElectronic transition dipole moment functions (ETDMF) of the fourth singlet Sigma gerade plus (4sSg+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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Electronic transition dipole moment functions of the first singlet Pi gerade and first triplet Pi gerade states of the Lithium dimer
Dane BadawczeElectronic transition dipole moment functions (ETDMF) of the first singlet Pi gerade (1sPg) and first triplet Pi gerade (1tPg) states have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the four ETDMFs have been obtained...
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Electronic transition dipole moment functions of the second singlet Sigma gerade plus state of the Lithium dimer
Dane BadawczeElectronic transition dipole moment functions (ETDMF) of the second singlet Sigma gerade plus (2sSg+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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Electronic transition dipole moment functions of the fifth singlet Sigma gerade plus state of the Lithium dimer
Dane BadawczeElectronic transition dipole moment functions (ETDMF) of the fifth singlet Sigma gerade plus (5sSg+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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Electronic transition dipole moment functions of the third singlet Sigma ungerade plus and third triplet Sigma gerade plus states of the Lithium dimer
Dane BadawczeElectronic transition dipole moment functions (ETDMF) of the third singlet Sigma ungerade plus (3sSu+) and third triplet Sigma gerade plus (3tSg+) states have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the four ETDMFs...
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Electronic transition dipole moment functions of the second singlet Pi gerade and second triplet Pi gerade states of the Lithium dimer
Dane BadawczeElectronic transition dipole moment functions (ETDMF) of the second singlet Pi gerade (2sPg) and second triplet Pi gerade (2tPg) states have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the four ETDMFs have been obtained...
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Electronic transition dipole moment functions of the fifth triplet Sigma ungerade plus state of the Lithium dimer
Dane BadawczeElectronic transition dipole moment functions (ETDMF) of the fifth triplet Sigma ungerade plus (5tSu+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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Electronic transition dipole moment functions of the first singlet Sigma gerade plus state of the Lithium dimer
Dane BadawczeElectronic transition dipole moment functions (ETDMF) of the first singlet Sigma gerade plus (1sSg+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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Electronic transition dipole moment functions of the first triplet Sigma ungerade plus state of the Lithium dimer
Dane BadawczeElectronic transition dipole moment functions (ETDMF) of the first triplet Sigma ungerade plus (1tSu+) state have been calculated for the Lithium dimer. ETDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. The results of the five ETDMFs have been obtained by the nonrelativistic multireference...
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Sea surface temperature in the Baltic Sea derived from Landsat 8 satellite data - path 194
Dane BadawczeThe data set contains high resolution sea surface temperature (SST) maps estimated from Landsat 8 Level 1 Thermal Infrared Sensor (TIRS) data using NLSST algorithm. SST was calculated only for granules (185 x 180 km) from satellite path number 194, that covered at least 2000 km2 of the cloud-free area of the Baltic Sea.
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Sea surface temperature in the Baltic Sea derived from Landsat 8 satellite data - path 192
Dane BadawczeThe data set contains high resolution sea surface temperature (SST) maps estimated from Landsat 8 Level 1 Thermal Infrared Sensor (TIRS) data using NLSST algorithm. SST was calculated only for granules (185 x 180 km) from satellite path number 192, that covered at least 2000 km2 of the cloud-free area of the Baltic Sea.
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Sea surface temperature in the Baltic Sea derived from Landsat 8 satellite data - path 191
Dane BadawczeThe data set contains high resolution sea surface temperature (SST) maps estimated from Landsat 8 Level 1 Thermal Infrared Sensor (TIRS) data using NLSST algorithm. SST was calculated only for granules (185 x 180 km) from satellite path number 191, that covered at least 2000 km2 of the cloud-free area of the Baltic Sea.
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Sea surface temperature in the Baltic Sea derived from Landsat 8 satellite data - path 193
Dane BadawczeThe data set contains high resolution sea surface temperature (SST) maps estimated from Landsat 8 Level 1 Thermal Infrared Sensor (TIRS) data using NLSST algorithm. SST was calculated only for granules (185 x 180 km) from satellite path number 193, that covered at least 2000 km2 of the cloud-free area of the Baltic Sea.
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Sea surface temperature in the Baltic Sea derived from Landsat 8 satellite data - path 190
Dane BadawczeThe data set contains high resolution sea surface temperature (SST) maps estimated from Landsat 8 Level 1 Thermal Infrared Sensor (TIRS) data using NLSST algorithm. SST was calculated only for granules (185 x 180 km) from satellite path number 190, that covered at least 2000 km2 of the cloud-free area of the Baltic Sea.