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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 N2_(opt-freq)_-_M06-2X_aug-cc-pVQZ_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | AUG-CC-PVQZ | -109.539935794; Eh | ||||
14-Sep-2023 | /Scaling_factors C2H2_(opt-freq)_-_M06-2X_def2-TZVP_No_solvation | Nicolaou, Michael | Gaussian; 16; EM64L-G16RevC.01 | Geometry optimization Minimum | RM062X | DEF2TZVP | -77.3250437531; Eh | ||||
14-Sep-2023 | /Scaling_factors HF_(opt-freq)_-_M06-2X_aug-cc-pVQZ_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | AUG-CC-PVQZ | -100.457646681; Eh |
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