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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/pbe1pbe TS2W | Pérez-Soto, Raúl | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RPBE1PBE | 6-31+G(D,P) | -635.123110708; Eh | |||
 | 24-Feb-2020 | /SupportingStructures/Benchmark/pbe1pbe NButylamine | Pérez-Soto, Raúl | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBE1PBE | 6-31+G(D,P) | -213.572593312; Eh | |||
 | 24-Feb-2020 | /SupportingStructures/Benchmark/pbe1pbe TS2N | Pérez-Soto, Raúl | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RPBE1PBE | 6-31+G(D,P) | -772.334853778; Eh |
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