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-Apr-2024 | TS8 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | 6-311G** SDD GENECP | -11220.5482410; Eh | ||||
30-Apr-2024 | TS6 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | 6-311G** SDD GENECP | -11220.5516369; Eh | ||||
30-Apr-2024 | TS9 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | 6-311G** SDD GENECP | -11220.5432261; Eh | ||||
30-Apr-2024 | TS7 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | 6-311G** SDD GENECP | -11220.5071063; Eh | ||||
19-Sep-2022 | /Furan_Ph TS2A | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | DEF2SVP | -3882.27072831; Eh | ||||
19-Sep-2022 | /Furan_Ph TS1A | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | DEF2SVP | -3882.27309000; Eh | ||||
19-Sep-2022 | /Furan_Ph TS1B | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | DEF2SVP | -3882.26421935; Eh | ||||
19-Sep-2022 | /Furan_Ph TS3B | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | DEF2SVP | -3882.38434965; Eh | ||||
19-Sep-2022 | /Thiophene TS4A | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | DEF2SVP | -4205.29804128; Eh | ||||
19-Sep-2022 | /Furan_Ph TS3B_prime | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | DEF2SVP | -3882.37954286; Eh |
Results 61-70 of 70 (Search time: 0.002 seconds).
Discover
Program name
- 70 Gaussian