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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 17-Aug-2023 | aQuartet_log | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UB3LYP | GEN | -2406.81789256; Eh | |||
 | 17-Aug-2023 | gDoublet_log | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UB3LYP | GEN | -2406.90477024; Eh | |||
 | 17-Aug-2023 | aDoublet_log | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UB3LYP | GEN | -2406.81766554; Eh | |||
 | 17-Aug-2023 | gQuartet_log | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UB3LYP | GEN | -2406.89079055; Eh | |||
 | 17-Aug-2023 | 4doublet_log | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UB3LYP | GEN | -2406.81166105; Eh | |||
 | 17-Aug-2023 | TS4toa_log | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UB3LYP | GEN | -2406.77099523; Eh | |||
 | 17-Aug-2023 | FeOHanionradicalCHCl3_log | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UB3LYP | GEN | -1626.1318382; Eh | |||
 | 17-Aug-2023 | FeOHinCHCl3_log | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UB3LYP | GEN | -1625.9774787; Eh | |||
 | 17-Aug-2023 | fDoublet_log | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UB3LYP | GEN | -2406.83935341; Eh | |||
 | 23-Apr-2024 | BioIIItsFRAGS_log | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RmPW1PW91 | 6-31+G(D,P) | -579.006904063; Eh |
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