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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 3-Sep-2021 | fragRR2OHeq_MP2_6-31plGdp_PCM_ener_freq | Van der Kamp, Marc | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | RMP2-FC | 6-31+G(D,P) | -799.084813340; Eh | |||
 | 13-Jul-2023 | B6Cl5N2_(-)_MP2 | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RMP2-FC | DEF2TZVPP | -2554.89986241; Eh | |||
 | 13-Jul-2023 | B6Cl5(H2O)_(-)_MP2 | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RMP2-FC | DEF2TZVPP | -2521.99948613; Eh | |||
 | 13-Jul-2023 | B6Cl5_(-)_MP2 | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Structure | RMP2-FC | DEF2TZVPP | -2445.88522427; Eh | |||
 | 14-Sep-2023 | /Vanillin_benchmark Vanillin_(freq)_-_MP2-FC_6-311++G(2d,2p)_-_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RMP2-FC | 6-311++G(2D,2P) | -532.332172251; Eh | |||
 | 14-Sep-2023 | /Scaling_factors N2O_(opt-freq)_-_MP2-FC_6-311++G(2d,2p)_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RMP2-FC | 6-311++G(2D,2P) | -183.726537125; Eh | |||
 | 14-Sep-2023 | /Scaling_factors NH3_(opt-freq)_-_MP2-FC_6-311++G(2d,2p)_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RMP2-FC | 6-311++G(2D,2P) | -56.2178846583; Eh | |||
 | 14-Sep-2023 | /Scaling_factors N2_(opt-freq)_-_MP2-FC_6-311++G(2d,2p)_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RMP2-FC | 6-311++G(2D,2P) | -108.973134248; Eh | |||
 | 14-Sep-2023 | /Vanillin_benchmark Vanillin_(opt)_-_MP2_6-311++G(2d,2p)_-_No_solvation | Nicolaou, Michael | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RMP2-FC | 6-311++G(2D,2P) | -532.332168796; Eh | |||
 | 14-Sep-2023 | /Scaling_factors C2H2_(opt-freq)_-_MP2-FC_6-311++G(2d,2p)_No_solvation | Nicolaou, Michael | Gaussian; 16; EM64L-G16RevC.01 | Geometry optimization Minimum | RMP2-FC | 6-311++G(2D,2P) | -76.8443004979; Eh |
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