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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 N2O_(opt-freq)_-_PBE0_6-311++G(2d,2p)_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBE1PBE | 6-311++G(2D,2P) | -184.525462818; Eh | |||
 | 14-Sep-2023 | /Scaling_factors N2_(opt-freq)_-_PBE0_6-311++G(2d,2p)_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBE1PBE | 6-311++G(2D,2P) | -109.436268946; Eh | |||
 | 14-Sep-2023 | /Scaling_factors HF_(opt-freq)_-_PBE0_6-311++G(2d,2p)_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBE1PBE | 6-311++G(2D,2P) | -100.385353851; Eh | |||
 | 14-Sep-2023 | /Vanillin_benchmark Vanillin_(opt)_-_PBE0_6-311++G(2d,2p)_-_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBE1PBE | 6-311++G(2D,2P) | -534.883787893; Eh | |||
 | 14-Sep-2023 | /Scaling_factors C2H2_(opt-freq)_-_PBE0_6-311++G(2d,2p)_No_solvation | Nicolaou, Michael | Gaussian; 16; EM64L-G16RevC.01 | Geometry optimization Minimum | RPBE1PBE | 6-311++G(2D,2P) | -77.2507472626; Eh |
Results 11-15 of 15 (Search time: 0.001 seconds).