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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/Profiles/PBEPBE/Adducts A_W_PBEPBE | Pérez-Soto, Raúl | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | CC-PVTZ | -421.669540220; Eh | |||
 | 24-Feb-2020 | /SupportingStructures/Profiles/PBEPBE/Adducts W_W_PBEPBE | Pérez-Soto, Raúl | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | CC-PVTZ | -152.769777769; Eh | |||
 | 24-Feb-2020 | /SupportingStructures/Profiles/PBEPBE/Adducts N_N_PBEPBE | Pérez-Soto, Raúl | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | CC-PVTZ | -427.186219813; Eh | |||
 | 24-Feb-2020 | /SupportingStructures/Profiles/PBEPBE/Adducts N_W_PBEPBE | Pérez-Soto, Raúl | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | CC-PVTZ | -289.984534112; Eh | |||
 | 24-Feb-2020 | /SupportingStructures/Profiles/PBEPBE/Adducts A_N_PBEPBE | Pérez-Soto, Raúl | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | CC-PVTZ | -558.877023574; Eh | |||
 | 24-Feb-2020 | /SupportingStructures/Profiles/PBEPBE/Adducts A_W_W_PBEPBE | Pérez-Soto, Raúl | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | CC-PVTZ | -498.060978462; Eh | |||
 | 24-Feb-2020 | /SupportingStructures/Profiles/PBEPBE/Adducts N_W_W_PBEPBE | Pérez-Soto, Raúl | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | CC-PVTZ | -366.380695398; Eh | |||
 | 24-Feb-2020 | /SupportingStructures/Profiles/PBEPBE/Adducts W_W_W_PBEPBE | Pérez-Soto, Raúl | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | CC-PVTZ | -229.167793209; Eh | |||
 | 24-Feb-2020 | /SupportingStructures/Benchmark/pbepbe TS2NW | Pérez-Soto, Raúl | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RPBEPBE | 6-31+G(D,P) | -848.625495459; Eh | |||
 | 24-Feb-2020 | /SupportingStructures/Benchmark/pbepbe TS2N | Pérez-Soto, Raúl | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RPBEPBE | 6-31+G(D,P) | -772.242715371; Eh |
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