Search
Add filters:
Use filters to refine the search results.
Item hits:
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 19-Sep-2022 | /Benzofuran IM0 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -1102.25585017; 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 | |||
| 2-Mar-2019 | Monoterpenes-17-M06-2X_6-31+(d,p) | Pahima, Efrat | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -390.506271235; Eh | |||
| 2-Mar-2019 | Monoterpenes-14-M06-2X_6-31+(d,p) | Pahima, Efrat | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -390.507624815; Eh | |||
| 2-Mar-2019 | Monoterpenes-13-M06-2X_6-31+(d,p) | Pahima, Efrat | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | RM062X | - | -390.508522062; Eh | |||
| 2-Mar-2019 | Monoterpenes-11-M06-2X_6-31+(d,p) | Pahima, Efrat | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -390.508499033; Eh | |||
| 2-Mar-2019 | Monoterpenes-10-M06-2X_6-31+(d,p) | Pahima, Efrat | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -390.507721638; Eh | |||
| 2-Mar-2019 | Monoterpenes-08-M06-2X_6-31+(d,p) | Pahima, Efrat | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -390.515835460; Eh | |||
| 2-Mar-2019 | Monoterpenes-05-M06-2X | Pahima, Efrat | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -390.511137018; Eh | |||
 | 19-Sep-2022 | /DDQ IM6A | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -2755.97505379; Eh |
Results 271-280 of 1082 (Search time: 0.001 seconds).
Discover
Subject
Method
- 6 TD-FC