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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Jun-2023 | TS_O | Yohei, Kametani | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | UB3LYP | GEN | -4251.73723035; Eh | |||
 | 28-Jun-2023 | IM2_N_d | Yohei, Kametani | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UB3LYP | GEN | -4251.72173844; Eh | |||
 | 28-Jun-2023 | IM1_N | Yohei, Kametani | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UB3LYP | GEN | -4251.74665573; Eh | |||
 | 28-Jun-2023 | TS2_N | Yohei, Kametani | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | UB3LYP | GEN | -4251.71903502; Eh | |||
 | 2-Mar-2023 | /substituent_effect TS3C4_diOMe(S) | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UPBE1PBE | DEF2SVPP | -6353.6970191; Eh | |||
 | 2-Mar-2023 | /substituent_effect cyclopropanol_diOMe | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBE1PBE | DEF2SVPP | -651.997600614; Eh | |||
 | 2-Mar-2023 | IM2C3(S) | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UPBE1PBE | DEF2SVPP | -5896.4196862; Eh | |||
 | 2-Mar-2023 | TS2C3(S) | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | UPBE1PBE | DEF2SVPP | -5896.38624344; Eh | |||
 | 2-Mar-2023 | TS4C4(T) | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UPBE1PBE | DEF2SVPP | -2388.59706790; Eh | |||
 | 2-Mar-2023 | Cu2(OAc)4(MeOH)(S) | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UPBE1PBE | DEF2SVPP | -4423.61759319; Eh |
Results 181-190 of 230 (Search time: 0.001 seconds).