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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Jun-2023 | RC_O | Yohei, Kametani | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UB3LYP | GEN | -4251.78291205; Eh | |||
 | 28-Jun-2023 | IM2_N_q | Yohei, Kametani | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UB3LYP | GEN | -4251.72311075; Eh | |||
 | 28-Jun-2023 | IM2_N_d | Yohei, Kametani | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UB3LYP | GEN | -4251.72173844; Eh | |||
 | 3-Aug-2023 | CuONHO-ArO | Yohei, Kametani | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UB3LYP | GEN | -4251.73911749; Eh | |||
 | 17-Aug-2023 | FeOHanionradical_log | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UB3LYP | GEN | -1626.04911249; Eh | |||
 | 17-Aug-2023 | FeOHtriplet_log | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UB3LYP | GEN | -1625.94442159; Eh | |||
 | 28-Jun-2023 | IM1_N | Yohei, Kametani | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UB3LYP | GEN | -4251.74665573; Eh | |||
 | 17-Aug-2023 | FeOxoQuartet_log | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UB3LYP | GEN | -1625.29166750; Eh | |||
 | 8-Jan-2024 | cisa | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | UB3LYP | DEF2SVP | -2466.46094546; Eh | |||
 | 13-Dec-2023 | B12I11_CH3S | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | UB3LYP | DEF2TZVPP | -4013.15396870; Eh |
Results 121-130 of 248 (Search time: 0.002 seconds).