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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Nov-2022 | /enamine/toluene TS2c_toluene | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RM062X | 6-31G(D) | -1885.61158314; Eh | |||
 | 9-Nov-2022 | /enamine/toluene TS1c_toluene | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RM062X | 6-31G(D) | -1885.62032664; Eh | |||
 | 9-Nov-2022 | /enamine/toluene TS3c_toluene | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RM062X | 6-31G(D) | -1885.61574828; Eh | |||
 | 9-Nov-2022 | /enamine/DCM 1c_DCM | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | 6-31G(D) | -1885.64839777; Eh | |||
 | 2-Mar-2019 | Monoterpenes-51-M06-2X_6-31+(d,p) | Pahima, Efrat | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -390.442059008; Eh | |||
| 2-Mar-2019 | Monoterpenes-46-M06-2X_6-31+(d,p) | Pahima, Efrat | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -390.473272718; Eh | |||
| 2-Mar-2019 | Monoterpenes-44-M06-2X_6-31+(d,p) | Pahima, Efrat | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -390.474351757; Eh | |||
| 2-Mar-2019 | Monoterpenes-26-M06-2X_6-31+(d,p) | Pahima, Efrat | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -390.501106018; Eh | |||
| 2-Mar-2019 | Monoterpenes-22-M06-2X_6-31+(d,p) | Pahima, Efrat | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -390.503222310; Eh | |||
| 2-Mar-2019 | Monoterpenes-19-M06-2X_6-31+(d,p) | Pahima, Efrat | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -390.508574606; Eh |
Results 191-200 of 575 (Search time: 0.001 seconds).