Research Data for "Toward an Understanding of Electronic Excitation Energies Beyond the Molecular Orbital Picture"
Contenturacil/ADC2 - Q-Chem input/output files for ADC(2) computations on uraciluracil/PBE0 - Q-Chem input/output files for TDDFT/PBE0 computations on uraciluracil/CASSCF - OpenMolcas input/output files for CASSCF(10/7) computations on uracilacenes - Q-Chem input/output files for ADC(2) computations...
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| Main Authors: | , |
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| Format: | Data Data |
| Published: |
2020
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| Subjects: | |
| Online Access: | https://dx.doi.org/10.17028/rd.lboro.11548560.v1 |
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