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. |
---|---|---|---|---|---|---|---|---|---|---|---|
30-Nov-2023 | TS4_T | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | UPBE1PBE | DEF2SVP | -2672.23551949; Eh | ||||
16-Jan-2024 | TS-3 | Laconsay, Croix | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | UPBE1PBE | DEF2SVP | -4391.05714213; Eh | ||||
16-Jan-2024 | TS-4 | Laconsay, Croix | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | UPBE1PBE | DEF2SVP | -4391.06038698; Eh | ||||
16-Jan-2024 | TS-1 | Laconsay, Croix | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | UPBE1PBE | DEF2SVP | -4391.04497809; Eh | ||||
16-Jan-2024 | TS-2 | Laconsay, Croix | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | UPBE1PBE | DEF2SVP | -4391.04724772; Eh | ||||
19-Jul-2023 | anti-a-ts | Kojasoy, Volga | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | UPBE1PBE | DEF2SVP | -2718.15701882; Eh | ||||
19-Jul-2023 | syn-a-ts | Kojasoy, Volga | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | UPBE1PBE | DEF2SVP | -2718.13663931; Eh | ||||
19-Jul-2023 | anti-c-ts | Kojasoy, Volga | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | UPBE1PBE | DEF2SVP | -1632.72807883; Eh | ||||
19-Jul-2023 | syn-c-ts | Kojasoy, Volga | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | UPBE1PBE | DEF2SVP | -1632.71743222; Eh | ||||
2-Mar-2023 | TS2C3(S) | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | UPBE1PBE | DEF2SVPP | -5896.38624344; Eh |
Results 21-30 of 49 (Search time: 0.001 seconds).
Discover
Subject