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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg28-Jun-2023TS_OYohei, KametaniGaussian; 16; ES64L-G16RevA.03Geometry optimization TSUB3LYPGEN-4251.73723035; Eh
thumbnail.jpeg28-Jun-2023TS2_NYohei, KametaniGaussian; 16; ES64L-G16RevA.03Geometry optimization TSUB3LYPGEN-4251.71903502; Eh
thumbnail.jpeg28-Mar-2024/benchmark TS1_b3lypGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSUB3LYP6-31G(D,P)-772.778957220; Eh
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