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| 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)_-_M06-2X_aug-cc-pVQZ_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | AUG-CC-PVQZ | -199.528084638; Eh | |||
 | 14-Sep-2023 | /Scaling_factors CH4_(opt-freq)_-_M06-2X_aug-cc-pVQZ_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | AUG-CC-PVQZ | -40.5050199717; Eh | |||
 | 14-Sep-2023 | /Scaling_factors H2_(opt-freq)_-_M06-2X_aug-cc-pVQZ_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | AUG-CC-PVQZ | -1.16954738519; Eh | |||
 | 14-Sep-2023 | /Scaling_factors CO_(opt-freq)_-_M06-2X_aug-cc-pVQZ_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | AUG-CC-PVQZ | -113.326478535; Eh | |||
 | 14-Sep-2023 | /Vanillin_benchmark Vanillin_(opt)_-_M06-2X_def2-QZVP_-_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | DEF2QZVP | -535.363769773; Eh |
Results 161-165 of 165 (Search time: 0.001 seconds).