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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/Minima Benzaldehyde_PBEPBE | Pérez-Soto, Raúl | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | CC-PVTZ | -345.280040803; Eh | |||
 | 24-Feb-2020 | /SupportingStructures/Profiles/M062X/TS TS2NW_M062X | Pérez-Soto, Raúl | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM062X | CC-PVTZ | -849.544602974; Eh | |||
 | 24-Feb-2020 | /SupportingStructures/Profiles/PBEPBE/Minima Hemiaminal_PBEPBE | Pérez-Soto, Raúl | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | CC-PVTZ | -558.878567773; Eh | |||
 | 24-Feb-2020 | /SupportingStructures/Profiles/PBEPBE/Minima NButylamine_PBEPBE | Pérez-Soto, Raúl | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | CC-PVTZ | -213.588447580; Eh | |||
 | 24-Feb-2020 | /SupportingStructures/Profiles/PBEPBE/Minima Imine_PBEPBE | Pérez-Soto, Raúl | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | CC-PVTZ | -482.491386152; Eh | |||
 | 24-Feb-2020 | /SupportingStructures/Profiles/PBEPBE/Minima Water_PBEPBE | Pérez-Soto, Raúl | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | CC-PVTZ | -76.3797445488; 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 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 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 N_N_PBEPBE | Pérez-Soto, Raúl | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | CC-PVTZ | -427.186219813; Eh |
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