Item hits:
| Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
|---|---|---|---|---|---|---|---|---|
 | /Pathway_c5c4_cat TS1 | Villar-Yanez, Alba | Gaussian; 09; EM64L-G09RevD.01 | RwB97XD | 6-311G(D,P) | -4796.24961430; Eh | ||
 | /Pathway_c5c4_cat Int1_k2 | Villar-Yanez, Alba | Gaussian; 09; EM64L-G09RevD.01 | RwB97XD | 6-311G(D,P) | -4796.28781513; Eh | ||
 | /Pathway_c5c4_cat Int2C | Villar-Yanez, Alba | Gaussian; 09; EM64L-G09RevD.01 | RwB97XD | 6-311G(D,P) | -4796.28553854; Eh | ||
 | /Pathway_c5c4_cat Int2C-k2 | Villar-Yanez, Alba | Gaussian; 09; EM64L-G09RevD.01 | RwB97XD | 6-311G(D,P) | -4796.27227896; Eh | ||
 | /Pathway_c5c4_cat TS2C_LS | Villar-Yanez, Alba | Gaussian; 09; EM64L-G09RevD.01 | RwB97XD | 6-311G(D,P) | -4796.21919759; Eh | ||
 | /Pathway_c5c4_cat Int2C_Lig | Villar-Yanez, Alba | Gaussian; 09; EM64L-G09RevD.01 | RwB97XD | 6-311G(D,P) | -4796.29495808; Eh | ||
 | /Pathway_c5c4_cat TS2C-SL | Villar-Yanez, Alba | Gaussian; 09; EM64L-G09RevD.01 | RwB97XD | 6-311G(D,P) | -4796.22175989; Eh | ||
 | /Pathway_c5c4_cat Int3C | Villar-Yanez, Alba | Gaussian; 09; EM64L-G09RevD.01 | RwB97XD | 6-311G(D,P) | -4796.31144320; Eh | ||
 | /Pathway_c5c4_cat Int4C | Villar-Yanez, Alba | Gaussian; 09; EM64L-G09RevD.01 | RwB97XD | 6-311G(D,P) | -4796.32245540; Eh | ||
 | /Pathway_c5c4_cat TS4C | Villar-Yanez, Alba | Gaussian; 09; EM64L-G09RevD.01 | RwB97XD | 6-311G(D,P) | -4796.27551501; Eh | ||
 | /Pathway_c5c4_cat C1_Al | Villar-Yanez, Alba | Gaussian; 09; EM64L-G09RevD.01 | RwB97XD | 6-311G(D,P) | -4796.30521672; Eh | ||
 | /Pathway_c4c5_cat TS1 | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | RwB97XD | 6-311G(D,P) | -4796.24961430; Eh | ||
 | /Pathway_c4c5_cat Int1_k2 | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | RwB97XD | 6-311G(D,P) | -4796.28781513; Eh | ||
 | /Pathway_c4c5_cat Int1_k2_OH | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | RwB97XD | 6-311G(D,P) | -4796.27963527; Eh | ||
 | /Pathway_c4c5_cat TS2_SL | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | RwB97XD | 6-311G(D,P) | -4796.26321677; Eh | ||
 | /Pathway_c4c5_cat Int1_Lig | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | RwB97XD | 6-311G(D,P) | -4796.27949454; Eh | ||
 | /Pathway_c4c5_cat TS2_LS | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | RwB97XD | 6-311G(D,P) | -4796.26237686; Eh | ||
 | /Pathway_c4c5_cat Int2_k2_OH | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | RwB97XD | 6-311G(D,P) | -4796.28549776; Eh | ||
 | /Pathway_c4c5_cat Int2_k2 | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | RwB97XD | 6-311G(D,P) | -4796.29664253; Eh | ||
 | /Pathway_c4c5_cat TS3 | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | RwB97XD | 6-311G(D,P) | -4796.25401291; Eh | ||
 | /Pathway_c4c5_cat Int3 | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | RwB97XD | 6-311G(D,P) | -4796.27945877; Eh | ||
 | /Pathway_c4c5_cat TS4 | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | RwB97XD | 6-311G(D,P) | -4796.26778308; Eh | ||
 | /Pathway_c4c5_cat Int4_k2 | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | RwB97XD | 6-311G(D,P) | -4796.30450578; Eh | ||
 | /Pathway_c4c5_cat Int4_k2_OH | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | RwB97XD | 6-311G(D,P) | -4796.29107422; Eh | ||
 | /Pathway_c4c5_cat TS5_SL | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | RwB97XD | 6-311G(D,P) | -4796.27035124; Eh |
Results 1-25 of 30 (Search time: 0.008 seconds).
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Subject
Method
- 30 RwB97XD
Basis
- 30 6-311G(D,P)
Program name
- 30 Gaussian
Calculation type
Institution