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. |
---|---|---|---|---|---|---|---|---|---|---|---|
9-Feb-2023 | /Hammett R_CN | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | 6-31G(D,P) | -1997.58258908; Eh | ||||
9-Feb-2023 | /Hammett R_F | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | 6-31G(D,P) | -2004.56996855; Eh | ||||
9-Feb-2023 | /H 1b | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | 6-31G(D,P) | -1674.37997476; Eh | ||||
9-Feb-2023 | /model I | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | 6-31G(D,P) | -1218.78306007; Eh | ||||
9-Feb-2023 | /enamine 1c_toluene | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | 6-31G(D,P) | -1885.69798603; Eh | ||||
9-Feb-2023 | /enamine 2c_toluene | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | 6-31G(D,P) | -1885.72526097; Eh | ||||
9-Feb-2023 | /enamine 2c_DCM | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | 6-31G(D,P) | -1885.73052768; Eh | ||||
9-Feb-2023 | /Hammett R_H | Guo, Wentao | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | 6-31G(D,P) | -1905.36572593; Eh | ||||
9-Feb-2023 | /enone INT1a | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | 6-31G(D,P) | -1826.96239879; Eh | ||||
9-Feb-2023 | /enone 2a | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | 6-31G(D,P) | -1827.00548483; Eh |
Results 21-30 of 55 (Search time: 0.001 seconds).
Discover
Program name
- 55 Gaussian