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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 14-Sep-2023 | /Scaling_factors CO2_(opt-freq)_-_M06-2X_cc-pVTZ_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | CC-PVTZ | -188.591596538; Eh | |||
 | 14-Sep-2023 | /Scaling_factors H2_(opt-freq)_-_M06-2X_cc-pVTZ_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | CC-PVTZ | -1.16886696998; Eh | |||
 | 14-Sep-2023 | /Scaling_factors HCN_(opt-freq)_-_M06-2X_cc-pVTZ_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | CC-PVTZ | -93.4226607720; Eh | |||
 | 14-Sep-2023 | /Scaling_factors F2_(opt-freq)_-_M06-2X_cc-pVTZ_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | CC-PVTZ | -199.514797295; Eh | |||
 | 14-Sep-2023 | /Scaling_factors N2_(opt-freq)_-_M06-2X_cc-pVTZ_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | CC-PVTZ | -109.532933339; Eh | |||
 | 14-Sep-2023 | /Scaling_factors HF_(opt-freq)_-_M06-2X_cc-pVTZ_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | CC-PVTZ | -100.448386781; Eh | |||
 | 14-Sep-2023 | /Scaling_factors H2CO_(opt-freq)_-_M06-2X_3-21G_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | 3-21G | -113.802595848; Eh | |||
 | 14-Sep-2023 | /Scaling_factors N2O_(opt-freq)_-_M06-2X_3-21G_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | 3-21G | -183.509947346; Eh | |||
 | 14-Sep-2023 | /Scaling_factors H2O_(opt-freq)_-_M06-2X_3-21G_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | 3-21G | -75.9387016750; Eh | |||
 | 14-Sep-2023 | /Scaling_factors CO2_(opt-freq)_-_M06-2X_3-21G_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | 3-21G | -187.437689039; Eh |
Results 21-30 of 153 (Search time: 0.001 seconds).
Discover
Program name
- 153 Gaussian