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 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 | ||||
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 N2O_(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) | -184.627230412; 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 HCN_(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) | -93.3880951774; Eh | ||||
14-Sep-2023 | /Scaling_factors N2_(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) | -109.493287627; Eh | ||||
14-Sep-2023 | /Scaling_factors H2_(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) | -1.17104534572; Eh | ||||
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 HF_(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) | -100.449461092; Eh |
Results 1-10 of 16 (Search time: 0.001 seconds).
Discover
Calculation type