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 H2CO_(opt-freq)_-_M06-2X_6-311++G_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | 6-311++G | -114.442871715; Eh | ||||
14-Sep-2023 | /Scaling_factors C2H2_(opt-freq)_-_M06-2X_6-311++G_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | 6-311++G | -77.2980244730; Eh | ||||
14-Sep-2023 | /Scaling_factors CO2_(opt-freq)_-_M06-2X_6-311++G_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | 6-311++G | -188.480349164; Eh | ||||
14-Sep-2023 | /Scaling_factors Cl2_(opt-freq)_-_M06-2X_6-311++G_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | 6-311++G | -920.315823532; Eh | ||||
14-Sep-2023 | /Scaling_factors CH4_(opt-freq)_-_M06-2X_6-311++G_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | 6-311++G | -40.4851448643; Eh | ||||
14-Sep-2023 | /Scaling_factors F2_(opt-freq)_-_M06-2X_6-311++G_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | 6-311++G | -199.477213799; Eh | ||||
14-Sep-2023 | /Scaling_factors H2_(opt-freq)_-_M06-2X_6-311++G_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | 6-311++G | -1.16482316980; Eh | ||||
14-Sep-2023 | /Scaling_factors CO_(opt-freq)_-_M06-2X_6-311++G_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | 6-311++G | -113.254670118; Eh | ||||
14-Sep-2023 | /Scaling_factors C2H2_(opt-freq)_-_M06-2X_cc-pVQZ_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | CC-PVQZ | -77.3295671965; Eh | ||||
14-Sep-2023 | /Scaling_factors NH3_(opt-freq)_-_M06-2X_cc-pVTZ_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | CC-PVTZ | -56.5497102720; Eh |
Results 131-140 of 165 (Search time: 0.001 seconds).
Discover
Calculation type