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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 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 | /Vanillin_benchmark Vanillin_(freq)_-_M06_6-311++G(2d,2p)_-_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | 6-311++G(2D,2P) | -535.147094840; Eh |
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