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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)_-_wB97X-D_6-311++G(2d,2p)_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RwB97XD | 6-311++G(2D,2P) | -77.3226072930; Eh | |||
 | 14-Sep-2023 | /Scaling_factors Cl2_(opt-freq)_-_wB97X-D_6-311++G(2d,2p)_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RwB97XD | 6-311++G(2D,2P) | -920.380586296; Eh | |||
 | 14-Sep-2023 | /Scaling_factors CH4_(opt-freq)_-_wB97X-D_6-311++G(2d,2p)_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RwB97XD | 6-311++G(2D,2P) | -40.5182010601; Eh | |||
 | 14-Sep-2023 | /Scaling_factors CO2_(opt-freq)_-_wB97X-D_6-311++G(2d,2p)_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RwB97XD | 6-311++G(2D,2P) | -188.585155748; Eh | |||
 | 14-Sep-2023 | /Scaling_factors H2_(opt-freq)_-_wB97X-D_6-311++G(2d,2p)_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RwB97XD | 6-311++G(2D,2P) | -1.17662580886; Eh | |||
 | 14-Sep-2023 | /Scaling_factors CO_(opt-freq)_-_wB97X-D_6-311++G(2d,2p)_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RwB97XD | 6-311++G(2D,2P) | -113.310457134; Eh | |||
 | 14-Sep-2023 | /Scaling_factors F2_(opt-freq)_-_wB97X-D_6-311++G(2d,2p)_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RwB97XD | 6-311++G(2D,2P) | -199.518219252; Eh | |||
 | 14-Sep-2023 | /Vanillin_benchmark Vanillin_(opt)_-_wB97X-D_6-311++G(2d,2p)_-_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RwB97XD | 6-311++G(2D,2P) | -535.310097609; Eh | |||
 | 14-Sep-2023 | /Scaling_factors H2CO_(opt-freq)_-_wB97X-D_6-311++G(2d,2p)_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RwB97XD | 6-311++G(2D,2P) | -114.502021434; Eh | |||
 | 14-Sep-2023 | /Scaling_factors H2O_(opt-freq)_-_wB97X-D_6-311++G(2d,2p)_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RwB97XD | 6-311++G(2D,2P) | -76.4359419516; Eh |
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