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 | /Benchmarking_for_Open_System Fc(+)_b3lyp_I | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UB3LYP | DEF2SVP DEF2TZVP/GEN | -1650.8620472; Eh | |||
![]() | 28-Jun-2023 | HONO | Yohei, Kametani | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UB3LYP | GEN | -205.701054423; Eh | |||
![]() | 28-Jun-2023 | PC_O | Yohei, Kametani | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UB3LYP | GEN | -4251.74294437; Eh | |||
![]() | 17-Aug-2023 | aDoubletOther_log | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UB3LYP | GEN | -2406.82123865; Eh | |||
![]() | 28-Jun-2023 | IC_N | Yohei, Kametani | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UB3LYP | GEN | -3629.71470483; Eh | |||
![]() | 3-Aug-2023 | IM1_N-iso | Yohei, Kametani | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UB3LYP | GEN | -4251.74631742; Eh | |||
![]() | 22-Nov-2022 | /Benchmarking_for_Open_System 4a(-)_open_b3lyp_I | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UB3LYP | DEF2SVP DEF2TZVP/GEN | -2953.8792277; Eh | |||
![]() | 28-Jun-2023 | RC_N | Yohei, Kametani | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UB3LYP | GEN | -4251.78927650; Eh | |||
![]() | 28-Jun-2023 | PC_N | Yohei, Kametani | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UB3LYP | GEN | -4251.74240743; Eh | |||
![]() | 28-Jun-2023 | FC | Yohei, Kametani | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UB3LYP | GEN | -3500.41592507; Eh |
Results 111-120 of 248 (Search time: 0.002 seconds).
Discover
Subject
Program name
- 248 Gaussian