Published December 28, 2023
| Version v1
Physical object
Open
Structures, Transition energies and Dipole strengths along the S1 inter ring breathing mode of PCP
Description
Supporting data for the computational study of the [2,2] - Paracyclopahne excimer
This repository contains:
Structures of PCP along points on the inter-ring breathing mode coordinate (xyz files)
Transition energies and dipole strengths for transitions from S1 along the breathing coordinate
Files
2PC_transitions_-0.047.csv
Files
(106.0 kB)
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