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 | /Furan_Cyc TS1A | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | DEF2SVP | -3768.03761184; Eh | |||
 | 19-Sep-2022 | /Furan_Cyc TS2A | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | DEF2SVP | -3768.03811953; Eh | |||
 | 19-Sep-2022 | /Furan_Me TS2A | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | DEF2SVP | -3690.73152280; Eh | |||
 | 19-Sep-2022 | /Furan_Cyc TS1B | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | DEF2SVP | -3768.03778044; Eh | |||
 | 19-Sep-2022 | /Furan_Cyc IM0 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -834.534872416; Eh | |||
 | 19-Sep-2022 | /Indole_I2_dimer IM1A | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -2312.25009134; Eh | |||
 | 19-Sep-2022 | /Indole_I2_dimer IM1B | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -2312.33255955; Eh | |||
 | 19-Sep-2022 | /Indole_I2_dimer IM2A | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -2312.29478646; Eh | |||
 | 19-Sep-2022 | /Indole_I2_dimer TS0B | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | DEF2SVP | -2312.22052709; Eh | |||
 | 19-Sep-2022 | /Indole_I2_dimer TS1B | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | DEF2SVP | -2312.23104091; Eh |
Results 41-50 of 108 (Search time: 0.001 seconds).