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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 2-Mar-2019 | Monoterpenes-TS(D-J)-M06-2X_6-31+(d,p) | Pahima, Efrat | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | - | -390.848164221; Eh | |||
| 2-Mar-2019 | Monoterpenes-TS(C-E)-M06-2X_6-31+(d,p) | Pahima, Efrat | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | - | -390.826345901; 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-G)-M06-2X_6-31+(d,p) | Pahima, Efrat | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | - | -390.828603434; Eh | |||
| 2-Mar-2019 | Monoterpenes-TS(A-B)-M06-2X_6-31+(d,p) | Pahima, Efrat | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | - | -390.789984638; 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-TS(LOAc-B)-M06-2X_6-31+(d,p) | Pahima, Efrat | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | - | -619.827940226; Eh | |||
| 2-Mar-2019 | Monoterpenes-TS(E-F)-M06-2X_6-31+(d,p) | Pahima, Efrat | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | - | -390.778698815; Eh | |||
| 2-Mar-2019 | Monoterpenes-TS(A-LOAc)-M06-2X_6-31+(d,p) | Pahima, Efrat | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | - | -619.827534800; Eh |
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