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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 19-Sep-2022 | /Indole_I2 IM1A | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -2312.25009134; Eh | |||
| 19-Sep-2022 | /Indole_I2 IM0 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -1121.68406652; Eh | |||
| 2-Mar-2019 | Monoterpenes-TS(D-E)-M06-2X_6-31+(d,p) | Pahima, Efrat | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | - | -390.830348911; Eh | |||
| 2-Mar-2019 | Monoterpenes-TS(C-D)-M06-2X_6-31+(d,p) | Pahima, Efrat | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | - | -390.826564066; Eh | |||
| 2-Mar-2019 | Monoterpenes-O-M06-2X_6-31+(d,p) | Pahima, Efrat | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -390.853139736; Eh | |||
| 2-Mar-2019 | Monoterpenes-M-M06-2X_6-31+(d,p) | Pahima, Efrat | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | - | -390.824224393; Eh | |||
| 2-Mar-2019 | Monoterpenes-J-M06-2X_6-31+(d,p) | Pahima, Efrat | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -390.849975742; Eh | |||
| 2-Mar-2019 | Monoterpenes-G-M06-2X_6-31+(d,p) | Pahima, Efrat | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -390.835595171; Eh | |||
 | 4-Apr-2022 | C_p | Kojasoy, Volga | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -567.643797839; Eh | |||
 | 4-Apr-2022 | C | Kojasoy, Volga | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -567.641502493; Eh |
Results 371-380 of 575 (Search time: 0.002 seconds).