2026-10-07T08:02:46Z https://api.figshare.com/v2/oai

oai:figshare.com:article/33061859 2026-09-30T14:14:56Z category_25240 category_25258 item_type_3 month_year_09_2026

Support Information for DASA Leticia Adao Gomes (17978842) Photochemistry Computational chemistry DASA <p dir="ltr">These folders contain information for each molecule:</p><ul><li><b>OPT</b>: opt+freq logfile + optimized xyz</li><li><b>VEE</b>: TD-DFT logfile</li><li><b>TD-DFT</b>: text file with S1 excitation + oscillator strength</li><li><b>TS</b>: opt+freq logfile + TS optimized xyz </li></ul><p><br></p> 2026-09-30T14:14:56Z Dataset Dataset 10.6084/m9.figshare.33061859.v3 https://figshare.com/articles/dataset/Support_Information_for_DASA/33061859 CC BY 4.0