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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 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 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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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 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 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 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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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 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 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 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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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 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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Potential energy curves of LiCs dimer
Dane BadawczeThis 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 curves of NaRb dimer
Dane BadawczeThis data presents potential energy curves of NaRb dimer in Hund's case (a). Calculated using Born-Oppenheimer approximation with scalar relativistic effects are included via large effective core potentials. Core polarization potentials and MRCI method is used to describe electron correlation. Dataset consists of 18 potential energy curves of ground...
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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.
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Assay of Cystathionine-γ-synthase (CaStr2p) activity determination.
Dane BadawczeThe study aimed to obtain conditions optimal for the activity of Candida albicans cystathionine-γ-synthase (CaStr2p) determination. The selection of appropriate reaction conditions included the identification of the reaction buffer and its pH, substrate, and enzyme concentrations. The activity of Str2p was measured by the detection of decrease of the...
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Activity assay of O-Acetyl-L-homoserine sulfhydrylase (CaMet15p).
Dane BadawczeThe study aimed to obtain conditions optimal for the activity of O-acetyl-L-homoserine sulfhydrylase (CaMet15p) and a method suitable for its measurement. The selection of appropriate reaction conditions included the identification of the reaction buffer and its pH, substrate and enzyme concentrations. The activity of CaMet15p was measured by the detection...
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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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Thermographic imaging of electrochemical double layer capacitors during cycling charging - discharging 0 - 2,75 V at 241 mA. Sample 24, run #3.
Dane BadawczeDataset contains thermal images of prototype electrochemical double layer capacitor taken during cyclic charging - discharging. The sample was charged to 2,75 V and discharged to 10 mV by constant current 241 mA, experiment run #3The images were taken with thermographic camera VigoCAM V50. The sample was covered by black graphite paint to ensure uniform...
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Thermographic imaging of electrochemical double layer capacitors during cycling charging - discharging 0 - 2,75 V at 241 mA. Sample 24, run #5.
Dane BadawczeDataset contains thermal images of prototype electrochemical double layer capacitor taken during cyclic charging - discharging. The sample was charged to 2,75 V and discharged to 10 mV by constant current 241 mA, experiment run #5.The images were taken with thermographic camera VigoCAM V50. The sample was covered by black graphite paint to ensure uniform...
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Thermographic imaging of electrochemical double layer capacitors during cycling charging - discharging 0 - 2,8 V at 241 mA. Sample 24, run #1.
Dane BadawczeDataset contains thermal images of prototype electrochemical double layer capacitor taken during cyclic charging - discharging. The sample was charged to 2,8 V and discharged to 10 mV by constant current 241 mA, experiment run #1.The images were taken with thermographic camera VigoCAM V50. The sample was covered by black graphite paint to ensure uniform...
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Thermographic imaging of electrochemical double layer capacitors during cycling charging - discharging 0 - 3,0 V at 250 mA. Sample 24.
Dane BadawczeDataset contains thermal images of prototype electrochemical double layer capacitor taken during cyclic charging - discharging. The sample was charged to 3,0 V and discharged to 10 mV by constant current 250 mA. Last experiment with sample 24The images were taken with thermographic camera VigoCAM V50. The sample was covered by black graphite paint to...
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Thermographic imaging of electrochemical double layer capacitors during cycling charging - discharging 0 - 2,5 V at 180 mA. Sample 24
Dane BadawczeDataset contains thermal images of prototype electrochemical double layer capacitor taken during cyclic charging - discharging. The sample was charged to 2,5 V and discharged to 10 mV by constant current 180 mA. The images were taken with thermographic camera VigoCAM V50. The sample was covered by black graphite paint to ensure uniform surface emission....
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Thermographic imaging of electrochemical double layer capacitors during cycling charging - discharging 0 - 2,7 V at 80 mA. Sample 41.
Dane BadawczeDataset contains thermal images of prototype electrochemical double layer capacitor taken during cyclic charging - discharging. The sample was charged to 2,7 V and discharged to 10 mV by constant current 80 mA. Sample 41.The images were taken with thermographic camera VigoCAM V50. The sample was covered by black graphite paint to ensure uniform surface...
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Thermographic imaging of electrochemical double layer capacitors during cycling charging - discharging 0 - 2,75 V at 241 mA. Sample 24, run #2.
Dane BadawczeDataset contains thermal images of prototype electrochemical double layer capacitor taken during cyclic charging - discharging. The sample was charged to 2,75 V and discharged to 10 mV by constant current 241 mA, experiment run #2The images were taken with thermographic camera VigoCAM V50. The sample was covered by black graphite paint to ensure uniform...
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Thermographic imaging of electrochemical double layer capacitors during cycling charging - discharging 0 - 3,0 V at 250 mA. Sample 23, run #1.
Dane BadawczeDataset contains thermal images of prototype electrochemical double layer capacitor taken during cyclic charging - discharging. The sample was charged to 3,0 V and discharged to 10 mV by constant current 250 mA. Sample 23, experiment run #1.The images were taken with thermographic camera VigoCAM V50. The sample was covered by black graphite paint to...
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Thermographic imaging of electrochemical double layer capacitors during cycling charging - discharging 0 - 2,8 V at 241 mA. Sample 24, run #2.
Dane BadawczeDataset contains thermal images of prototype electrochemical double layer capacitor taken during cyclic charging - discharging. The sample was charged to 2,8 V and discharged to 10 mV by constant current 241 mA, experiment run #2.The images were taken with thermographic camera VigoCAM V50. The sample was covered by black graphite paint to ensure uniform...
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Thermographic imaging of electrochemical double layer capacitors during cycling charging - discharging 0 - 2,8 V at 241 mA. Sample 24, run #3.
Dane BadawczeDataset contains thermal images of prototype electrochemical double layer capacitor taken during cyclic charging - discharging. The sample was charged to 2,8 V and discharged to 10 mV by constant current 241 mA, experiment run #3.The images were taken with thermographic camera VigoCAM V50. The sample was covered by black graphite paint to ensure uniform...
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Thermographic imaging of electrochemical double layer capacitors during cycling charging - discharging 0 - 2,9 V at 241 mA. Sample 24, run #1.
Dane BadawczeDataset contains thermal images of prototype electrochemical double layer capacitor taken during cyclic charging - discharging. The sample was charged to 2,9 V and discharged to 10 mV by constant current 241 mA, experiment run #1.The images were taken with thermographic camera VigoCAM V50. The sample was covered by black graphite paint to ensure uniform...
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Thermographic imaging of electrochemical double layer capacitors during cycling charging - discharging 0 - 2,5 V at 241 mA. Sample 24
Dane BadawczeDataset contains thermal images of prototype electrochemical double layer capacitor taken during cyclic charging - discharging. The sample was charged to 2,5 V and discharged to 10 mV by constant current 241 mA. The images were taken with thermographic camera VigoCAM V50. The sample was covered by black graphite paint to ensure uniform surface emission....
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Thermographic imaging of electrochemical double layer capacitors during cycling charging - discharging 0 - 3,0 V at 250 mA. Sample 23, run #2.
Dane BadawczeDataset contains thermal images of prototype electrochemical double layer capacitor taken during cyclic charging - discharging. The sample was charged to 3,0 V and discharged to 10 mV by constant current 250 mA. Sample 23, experiment run #2.The images were taken with thermographic camera VigoCAM V50. The sample was covered by black graphite paint to...
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Thermographic imaging of electrochemical double layer capacitors during cycling charging - discharging 0 - 2,5 V at 80 mA. Sample 24
Dane BadawczeDataset contains thermal images of prototype electrochemical double layer capacitor taken during cyclic charging - discharging. The sample was charged to 2,5 V and discharged to 10 mV by constant current 80 mA. The images were taken with thermographic camera VigoCAM V50. The sample was covered by black graphite paint to ensure uniform surface emission....
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Thermographic imaging of electrochemical double layer capacitors during cycling charging - discharging 0 - 2,75 V at 241 mA. Sample 24, run #4.
Dane BadawczeDataset contains thermal images of prototype electrochemical double layer capacitor taken during cyclic charging - discharging. The sample was charged to 2,75 V and discharged to 10 mV by constant current 241 mA, experiment run #4.The images were taken with thermographic camera VigoCAM V50. The sample was covered by black graphite paint to ensure uniform...
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Thermographic imaging of electrochemical double layer capacitors during cycling charging - discharging 0 - 2,75 V at 241 mA. Sample 24, run #1.
Dane BadawczeDataset contains thermal images of prototype electrochemical double layer capacitor taken during cyclic charging - discharging. The sample was charged to 2,75 V and discharged to 10 mV by constant current 241 mA. The images were taken with thermographic camera VigoCAM V50. The sample was covered by black graphite paint to ensure uniform surface emission....
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Thermographic imaging of electrochemical double layer capacitors during cycling charging - discharging 0 - 2,9 V at 241 mA. Sample 24, run #2.
Dane BadawczeDataset contains thermal images of prototype electrochemical double layer capacitor taken during cyclic charging - discharging. The sample was charged to 2,9 V and discharged to 10 mV by constant current 241 mA, experiment run #2.The images were taken with thermographic camera VigoCAM V50. The sample was covered by black graphite paint to ensure uniform...
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Thermographic imaging of electrochemical double layer capacitors during cycling charging - discharging 0 - 2,5 V at 301 mA. Sample 24
Dane BadawczeDataset contains thermal images of prototype electrochemical double layer capacitor taken during cyclic charging - discharging. The sample was charged to 2,5 V and discharged to 10 mV by constant current 301 mA. The images were taken with thermographic camera VigoCAM V50. The sample was covered by black graphite paint to ensure uniform surface emission....
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Thermographic imaging of electrochemical double layer capacitors during cycling charging - discharging 0 - 2,7 V at 160 mA. Sample 41.
Dane BadawczeDataset contains thermal images of prototype electrochemical double layer capacitor taken during cyclic charging - discharging. The sample was charged to 2,7 V and discharged to 10 mV by constant current 160 mA. Sample 41.The images were taken with thermographic camera VigoCAM V50. The sample was covered by black graphite paint to ensure uniform surface...
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Thermographic imaging of electrochemical double layer capacitors during cycling charging - discharging 0 - 2,5 V at 120 mA. Sample 24
Dane BadawczeDataset contains thermal images of prototype electrochemical double layer capacitor taken during cyclic charging - discharging. The sample was charged to 2,5 V and discharged to 10 mV by constant current 120 mA. The images were taken with thermographic camera VigoCAM V50. The sample was covered by black graphite paint to ensure uniform surface emission....
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Thermographic imaging of electrochemical double layer capacitors during cycling charging - discharging 0 - 3,1 V at 561 mA. Sample 71, run #3.
Dane BadawczeDataset contains thermal images of prototype electrochemical double layer capacitor taken during cyclic charging - discharging. The sample was charged to 3,1 V and discharged to 10 mV by constant current 561 mA. Sample 71, experiment run #3.The images were taken with thermographic camera VigoCAM V50. The sample was covered by black graphite paint to...
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Thermographic imaging of electrochemical double layer capacitors during cycling charging - discharging 0 - 2,7 V at 112 mA. Sample 71.
Dane BadawczeDataset contains thermal images of prototype electrochemical double layer capacitor taken during cyclic charging - discharging. The sample was charged to 2,7 V and discharged to 10 mV by constant current 112 mA. Sample 71.The images were taken with thermographic camera VigoCAM V50. The sample was covered by black graphite paint to ensure uniform surface...
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Thermographic imaging of electrochemical double layer capacitors during cycling charging - discharging 0 - 3,1 V at 561 mA. Sample 71, run #4.
Dane BadawczeDataset contains thermal images of prototype electrochemical double layer capacitor taken during cyclic charging - discharging. The sample was charged to 3,1 V and discharged to 10 mV by constant current 561 mA. Sample 71, experiment run #4.The images were taken with thermographic camera VigoCAM V50. The sample was covered by black graphite paint to...
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Thermographic imaging of electrochemical double layer capacitors during cycling charging - discharging 0 - 2,7 V at 108 mA. Sample 61.
Dane BadawczeDataset contains thermal images of prototype electrochemical double layer capacitor taken during cyclic charging - discharging. The sample was charged to 2,7 V and discharged to 10 mV by constant current 108 mA. Sample 61.The images were taken with thermographic camera VigoCAM V50. The sample was covered by black graphite paint to ensure uniform surface...
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Thermographic imaging of electrochemical double layer capacitors during cycling charging - discharging 0 - 2,7 V at 204 mA. Sample 51, run #7.
Dane BadawczeDataset contains thermal images of prototype electrochemical double layer capacitor taken during cyclic charging - discharging. The sample was charged to 2,7 V and discharged to 10 mV by constant current 204 mA. Experiment run #7. The images were taken with thermographic camera VigoCAM V50. The sample was covered by black graphite paint to ensure uniform...
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Thermographic imaging of electrochemical double layer capacitors during cycling charging - discharging 0 - 2,7 V at 135 mA. Sample 61.
Dane BadawczeDataset contains thermal images of prototype electrochemical double layer capacitor taken during cyclic charging - discharging. The sample was charged to 2,7 V and discharged to 10 mV by constant current 135 mA. Sample 61.The images were taken with thermographic camera VigoCAM V50. The sample was covered by black graphite paint to ensure uniform surface...