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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 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 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 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 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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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 surfaces of the low-lying electronic states of the Li+LiCs system
Dane BadawczeThis 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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The ab initio and experimental study of the spectroscopic and magnetic properties of Ho(III)-EDTA
Dane BadawczeIn this dataset, the ab initio calculations of the electronic structure and the magnetic properties are discussed in the context of the experimental data for the Ho–EDTA complex. In the calculations different models of the cluster have been applied to examine the influence of various parts of the environment of the Ho(III)-EDTA complex on its properties....
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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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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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Emotions in polish speech recordings
Dane BadawczeThe data set presents emotions recorded in sound files that are expressions of Polish speech. Statements were made by people aged 21-23, young voices of 5 men. Each person said the following words / nie – no, oddaj - give back, podaj – pass, stop - stop, tak - yes, trzymaj -hold / five times representing a specific emotion - one of three - anger (a),...
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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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Supramolecular junctions of the PDA tetramers
Dane BadawczeIn this dataset, a set of polydopamine (PDA) supramolecular junctions with linear and cyclic tetramers in different oxidation states (indolequinone , IQ or dihydroxyindole, DHI) in the scattering region are investigated. Electronic structure of the supramolecular junction with cyclic and linear PDA tetramers, including Electron density maps for the...
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MODALITY corpus - SPEAKER 17 - SEQUENCE S1
Dane BadawczeThe MODALITY corpus is one of the multimodal database of word recordings in English. It consists of over 30 hours of multimodal recordings. The database contains high-resolution, high-framerate stereoscopic video streams and audio signals obtained from a microphone array and a laptop microphone. The corpus can be employed to develop an AVSR system,...
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MODALITY corpus - SPEAKER 35 - COMMANDS C1
Dane BadawczeThe MODALITY corpus is one of the multimodal database of word recordings in English. It consists of over 30 hours of multimodal recordings. The database contains high-resolution, high-framerate stereoscopic video streams and audio signals obtained from a microphone array and a laptop microphone. The corpus can be employed to develop an AVSR system,...
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MODALITY corpus - SPEAKER 21 - SEQUENCE S6
Dane BadawczeThe MODALITY corpus is one of the multimodal database of word recordings in English. It consists of over 30 hours of multimodal recordings. The database contains high-resolution, high-framerate stereoscopic video streams and audio signals obtained from a microphone array and a laptop microphone. The corpus can be employed to develop an AVSR system,...
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MODALITY corpus - SPEAKER 21 - COMMANDS C5
Dane BadawczeThe MODALITY corpus is one of the multimodal database of word recordings in English. It consists of over 30 hours of multimodal recordings. The database contains high-resolution, high-framerate stereoscopic video streams and audio signals obtained from a microphone array and a laptop microphone. The corpus can be employed to develop an AVSR system,...
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MODALITY corpus - SPEAKER 21 - SEQUENCE S4
Dane BadawczeThe MODALITY corpus is one of the multimodal database of word recordings in English. It consists of over 30 hours of multimodal recordings. The database contains high-resolution, high-framerate stereoscopic video streams and audio signals obtained from a microphone array and a laptop microphone. The corpus can be employed to develop an AVSR system,...
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MODALITY corpus - SPEAKER 10 - SEQUENCE S1
Dane BadawczeThe MODALITY corpus is one of the multimodal database of word recordings in English. It consists of over 30 hours of multimodal recordings. The database contains high-resolution, high-framerate stereoscopic video streams and audio signals obtained from a microphone array and a laptop microphone. The corpus can be employed to develop an AVSR system,...
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MODALITY corpus - SPEAKER 01 - SEQUENCE S2
Dane BadawczeThe MODALITY corpus is one of the multimodal database of word recordings in English. It consists of over 30 hours of multimodal recordings. The database contains high-resolution, high-framerate stereoscopic video streams and audio signals obtained from a microphone array and a laptop microphone. The corpus can be employed to develop an AVSR system,...
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MODALITY corpus - SPEAKER 39 - COMMANDS C1
Dane BadawczeThe MODALITY corpus is one of the multimodal database of word recordings in English. It consists of over 30 hours of multimodal recordings. The database contains high-resolution, high-framerate stereoscopic video streams and audio signals obtained from a microphone array and a laptop microphone. The corpus can be employed to develop an AVSR system,...
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MODALITY corpus - SPEAKER 01 - SEQUENCE S3
Dane BadawczeThe MODALITY corpus is one of the multimodal database of word recordings in English. It consists of over 30 hours of multimodal recordings. The database contains high-resolution, high-framerate stereoscopic video streams and audio signals obtained from a microphone array and a laptop microphone. The corpus can be employed to develop an AVSR system,...
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MODALITY corpus - SPEAKER 01 - COMMANDS C3
Dane BadawczeThe MODALITY corpus is one of the multimodal database of word recordings in English. It consists of over 30 hours of multimodal recordings. The database contains high-resolution, high-framerate stereoscopic video streams and audio signals obtained from a microphone array and a laptop microphone. The corpus can be employed to develop an AVSR system,...
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MODALITY corpus - SPEAKER 21 - SEQUENCE S2
Dane BadawczeThe MODALITY corpus is one of the multimodal database of word recordings in English. It consists of over 30 hours of multimodal recordings. The database contains high-resolution, high-framerate stereoscopic video streams and audio signals obtained from a microphone array and a laptop microphone. The corpus can be employed to develop an AVSR system,...
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MODALITY corpus - SPEAKER 33 - SEQUENCE S1
Dane BadawczeThe MODALITY corpus is one of the multimodal database of word recordings in English. It consists of over 30 hours of multimodal recordings. The database contains high-resolution, high-framerate stereoscopic video streams and audio signals obtained from a microphone array and a laptop microphone. The corpus can be employed to develop an AVSR system,...
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MODALITY corpus - SPEAKER 01 - COMMANDS C2
Dane BadawczeThe MODALITY corpus is one of the multimodal database of word recordings in English. It consists of over 30 hours of multimodal recordings. The database contains high-resolution, high-framerate stereoscopic video streams and audio signals obtained from a microphone array and a laptop microphone. The corpus can be employed to develop an AVSR system,...
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MODALITY corpus - SPEAKER 21 - COMMANDS C3
Dane BadawczeThe MODALITY corpus is one of the multimodal database of word recordings in English. It consists of over 30 hours of multimodal recordings. The database contains high-resolution, high-framerate stereoscopic video streams and audio signals obtained from a microphone array and a laptop microphone. The corpus can be employed to develop an AVSR system,...
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MODALITY corpus - SPEAKER 01 - SEQUENCE S4
Dane BadawczeThe MODALITY corpus is one of the multimodal database of word recordings in English. It consists of over 30 hours of multimodal recordings. The database contains high-resolution, high-framerate stereoscopic video streams and audio signals obtained from a microphone array and a laptop microphone. The corpus can be employed to develop an AVSR system,...
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MODALITY corpus - SPEAKER 01 - SEQUENCE S6
Dane BadawczeThe MODALITY corpus is one of the multimodal database of word recordings in English. It consists of over 30 hours of multimodal recordings. The database contains high-resolution, high-framerate stereoscopic video streams and audio signals obtained from a microphone array and a laptop microphone. The corpus can be employed to develop an AVSR system,...
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MODALITY corpus - SPEAKER 21 - SEQUENCE S5
Dane BadawczeThe MODALITY corpus is one of the multimodal database of word recordings in English. It consists of over 30 hours of multimodal recordings. The database contains high-resolution, high-framerate stereoscopic video streams and audio signals obtained from a microphone array and a laptop microphone. The corpus can be employed to develop an AVSR system,...
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MODALITY corpus - SPEAKER 01 - COMMANDS C4
Dane BadawczeThe MODALITY corpus is one of the multimodal database of word recordings in English. It consists of over 30 hours of multimodal recordings. The database contains high-resolution, high-framerate stereoscopic video streams and audio signals obtained from a microphone array and a laptop microphone. The corpus can be employed to develop an AVSR system,...
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MODALITY corpus - SPEAKER 21 - COMMANDS C4
Dane BadawczeThe MODALITY corpus is one of the multimodal database of word recordings in English. It consists of over 30 hours of multimodal recordings. The database contains high-resolution, high-framerate stereoscopic video streams and audio signals obtained from a microphone array and a laptop microphone. The corpus can be employed to develop an AVSR system,...
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MODALITY corpus - SPEAKER 01 - COMMANDS C5
Dane BadawczeThe MODALITY corpus is one of the multimodal database of word recordings in English. It consists of over 30 hours of multimodal recordings. The database contains high-resolution, high-framerate stereoscopic video streams and audio signals obtained from a microphone array and a laptop microphone. The corpus can be employed to develop an AVSR system,...
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MODALITY corpus - SPEAKER 21 - SEQUENCE S3
Dane BadawczeThe MODALITY corpus is one of the multimodal database of word recordings in English. It consists of over 30 hours of multimodal recordings. The database contains high-resolution, high-framerate stereoscopic video streams and audio signals obtained from a microphone array and a laptop microphone. The corpus can be employed to develop an AVSR system,...
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MODALITY corpus - SPEAKER 01 - COMMANDS C6
Dane BadawczeThe MODALITY corpus is one of the multimodal database of word recordings in English. It consists of over 30 hours of multimodal recordings. The database contains high-resolution, high-framerate stereoscopic video streams and audio signals obtained from a microphone array and a laptop microphone. The corpus can be employed to develop an AVSR system,...
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MODALITY corpus - SPEAKER 21 - COMMANDS C6
Dane BadawczeThe MODALITY corpus is one of the multimodal database of word recordings in English. It consists of over 30 hours of multimodal recordings. The database contains high-resolution, high-framerate stereoscopic video streams and audio signals obtained from a microphone array and a laptop microphone. The corpus can be employed to develop an AVSR system,...
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MODALITY corpus - SPEAKER 35 - SEQUENCE S1
Dane BadawczeThe MODALITY corpus is one of the multimodal database of word recordings in English. It consists of over 30 hours of multimodal recordings. The database contains high-resolution, high-framerate stereoscopic video streams and audio signals obtained from a microphone array and a laptop microphone. The corpus can be employed to develop an AVSR system,...
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MODALITY corpus - SPEAKER 39 - SEQUENCE S1
Dane BadawczeThe MODALITY corpus is one of the multimodal database of word recordings in English. It consists of over 30 hours of multimodal recordings. The database contains high-resolution, high-framerate stereoscopic video streams and audio signals obtained from a microphone array and a laptop microphone. The corpus can be employed to develop an AVSR system,...