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 F2_(opt-freq)_-_M06_6-311++G(2d,2p)_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM06 | 6-311++G(2D,2P) | -199.497957761; Eh | |||
 | 14-Sep-2023 | /Scaling_factors CO2_(opt-freq)_-_M06_6-311++G(2d,2p)_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM06 | 6-311++G(2D,2P) | -188.563037817; Eh | |||
 | 14-Sep-2023 | /Scaling_factors C2H2_(opt-freq)_-_M06_6-311++G(2d,2p)_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM06 | 6-311++G(2D,2P) | -77.2907179728; Eh | |||
 | 14-Sep-2023 | /Scaling_factors CH4_(opt-freq)_-_M06_6-311++G(2d,2p)_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM06 | 6-311++G(2D,2P) | -40.4907974044; Eh | |||
 | 14-Sep-2023 | /Scaling_factors Cl2_(opt-freq)_-_M06_6-311++G(2d,2p)_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM06 | 6-311++G(2D,2P) | -920.346556605; Eh | |||
 | 14-Sep-2023 | /Scaling_factors CO_(opt-freq)_-_M06_6-311++G(2d,2p)_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM06 | 6-311++G(2D,2P) | -113.288850265; Eh | |||
 | 14-Sep-2023 | /Vanillin_benchmark Vanillin_(opt)_-_M06_6-311++G(2d,2p)_-_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM06 | 6-311++G(2D,2P) | -535.147094840; Eh | |||
 | 14-Sep-2023 | /Scaling_factors H2CO_(opt-freq)_-_M06_6-311++G(2d,2p)_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM06 | 6-311++G(2D,2P) | -114.474446505; Eh | |||
 | 14-Sep-2023 | /Scaling_factors H2O_(opt-freq)_-_M06_6-311++G(2d,2p)_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM06 | 6-311++G(2D,2P) | -76.4218852220; Eh | |||
 | 14-Sep-2023 | /Scaling_factors NH3_(opt-freq)_-_M06_6-311++G(2d,2p)_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM06 | 6-311++G(2D,2P) | -56.5414207531; Eh |
Results 261-270 of 277 (Search time: 0.002 seconds).