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Manuscript title: An Exploration of Substituent Effects on the Photophysical Properties of Monobenzopentalenes
Metadata:
| Title: | /geo_opt 3f_core_t1 |
| Authors: | Mayer, Péter |
| Keywords: | Physical Organic Chemistry Organic Chemistry Aromaticity |
| Issue Date: | 2-Oct-2023 |
| Publisher: | Research Centre for Natural Sciences, Hungary National Supercomputer Centre, Sweden Ångström Laboratory, Uppsala University, Sweden |
| Description: | Geometry optimization at M06-2X/6-311+G(d,p) level in the first excited triplet state |
| URI: | https://iochem-bd.bsc.es/browse/handle/100/311873 |
| Appears in Collections: | monobenzopentalenes - DOI: 10.19061/iochem-bd-6-290 |
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https://iochem-bd.bsc.es/browse/handle/100/311873
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