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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Feb-2020 | /SupportingStructures/Benchmark/m062x Benzanaldehyde | Pérez-Soto, Raúl | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM062X | 6-31+G(D,P) | -345.453217531; Eh | |||
 | 24-Feb-2020 | /SupportingStructures/Benchmark/m062x Hemiaminal | Pérez-Soto, Raúl | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM062X | 6-31+G(D,P) | -559.180059683; Eh | |||
 | 24-Feb-2020 | /SupportingStructures/Benchmark/m062x NButylamine | Pérez-Soto, Raúl | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM062X | 6-31+G(D,P) | -213.710110806; Eh | |||
 | 24-Feb-2020 | /SupportingStructures/Benchmark/m062x Imine | Pérez-Soto, Raúl | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM062X | 6-31+G(D,P) | -482.766459664; Eh | |||
 | 24-Feb-2020 | /SupportingStructures/Benchmark/m062x Water | Pérez-Soto, Raúl | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM062X | 6-31+G(D,P) | -76.4034997987; Eh | |||
 | 24-Feb-2020 | /SupportingStructures/Benchmark/m062x TS2 | Pérez-Soto, Raúl | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM062X | 6-31+G(D,P) | -559.108836365; Eh | |||
 | 24-Feb-2020 | /SupportingStructures/Profiles/M062X/Adducts A_W_M062X | Pérez-Soto, Raúl | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM062X | CC-PVTZ | -422.002807824; Eh | |||
 | 24-Feb-2020 | /SupportingStructures/Profiles/M062X/Adducts A_N_N_W_M062X | Pérez-Soto, Raúl | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM062X | CC-PVTZ | -849.580826066; Eh | |||
 | 24-Feb-2020 | /SupportingStructures/Profiles/M062X/Adducts A_N_W_W_M062X | Pérez-Soto, Raúl | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM062X | CC-PVTZ | -712.235266816; Eh | |||
 | 24-Feb-2020 | /SupportingStructures/Profiles/M062X/Adducts A_N_N_M062X | Pérez-Soto, Raúl | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM062X | CC-PVTZ | -773.130678528; Eh |
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