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. |
---|---|---|---|---|---|---|---|---|---|---|---|
22-Nov-2022 | DMA_C1_33_TS_MN15_def2-SVP | Ahmed, Yusef | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RMN15 | DEF2SVP | -1625.04318357; Eh | ||||
22-Nov-2022 | OH_C4_33_TS1_MN15_def2-SVP | Ahmed, Yusef | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RMN15 | DEF2SVP | -1566.47524837; Eh | ||||
22-Nov-2022 | Parent_35_TS1_MN15_def2-SVP_SMD | Ahmed, Yusef | Gaussian; 16; EM64M-G16RevA.03 | Geometry optimization TS | RMN15 | DEF2SVP | -1491.39098581; Eh | ||||
22-Nov-2022 | DMA_C2-C6_33_TS_MN15_def2-QZVPP_gas | Ahmed, Yusef | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RMN15 | DEF2QZVPP | -1760.62393981; Eh | ||||
22-Nov-2022 | CH3_C4_33_TS1_MN15_def2-SVP | Ahmed, Yusef | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RMN15 | DEF2SVP | -1530.60097405; Eh | ||||
22-Nov-2022 | Parent_35_TS2_MN15_def2-SVP | Ahmed, Yusef | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | DEF2SVP | -1491.34956106; Eh | ||||
22-Nov-2022 | DMA_C2-C5_33_TS_MN15_def2-SVP | Ahmed, Yusef | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RMN15 | DEF2SVP | -1758.72395652; Eh | ||||
22-Nov-2022 | SCH3_C2_35_TS1_MN15_def2-SVP | Ahmed, Yusef | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RMN15 | DEF2SVP | -1928.52376995; Eh | ||||
22-Nov-2022 | Parent_35_TS2_MN15_def2-SVP_SMD | Ahmed, Yusef | Gaussian; 16; EM64M-G16RevA.03 | Geometry optimization TS | RMN15 | DEF2SVP | -1491.39098581; Eh | ||||
22-Nov-2022 | NH2_C4_35_product_MN15_def2-SVP | Ahmed, Yusef | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RMN15 | DEF2SVP | -1546.66220592; Eh |
Results 201-210 of 227 (Search time: 0.002 seconds).
Discover
Program name
- 227 Gaussian
Calculation type