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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 11-Feb-2022 | /Pathway_c4c5_cat TS5_LS | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RwB97XD | 6-311G(D,P) | -4796.27971742; Eh | |||
 | 11-Feb-2022 | /Pathway_c4c5_cat TS4 | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RwB97XD | 6-311G(D,P) | -4796.26778308; Eh | |||
 | 11-Feb-2022 | /Pathway_c4c5_cat Int3 | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | 6-311G(D,P) | -4796.27945877; Eh | |||
 | 11-Feb-2022 | /Pathway_c4c5_cat TS1 | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RwB97XD | 6-311G(D,P) | -4796.24961430; Eh | |||
 | 11-Feb-2022 | /Pathway_c4c5_nocat Int6A | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | 6-311G(D,P) | -3226.22893903; Eh | |||
 | 11-Feb-2022 | /Pathway_c4c5_nocat TS6A | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RwB97XD | 6-311G(D,P) | -3226.22126574; Eh | |||
 | 11-Feb-2022 | /Pathway_c4c5_nocat C1 | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | 6-311G(D,P) | -651.985868487; Eh | |||
 | 11-Feb-2022 | /Pathway_c4c5_nocat Int2A | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | 6-311G(D,P) | -3226.23377729; Eh | |||
 | 11-Feb-2022 | /Pathway_c4c5_nocat Int5A | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | 6-311G(D,P) | -3226.25086535; Eh | |||
 | 11-Feb-2022 | /Pathway_c4c5_nocat Int4A | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | 6-311G(D,P) | -3226.25162468; Eh |
Results 11-20 of 38 (Search time: 0.002 seconds).