Item hits:
| Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
|---|---|---|---|---|---|---|---|---|
 | /Pathway_c5c4_cat B1 | Villar-Yanez, Alba | Gaussian; 09; EM64L-G09RevD.01 | RwB97XD | 6-311G(D,P) | -651.943278985; Eh | ||
 | /Pathway_c5c4_cat B1_Al | Villar-Yanez, Alba | Gaussian; 09; EM64L-G09RevD.01 | RwB97XD | 6-311G(D,P) | -2221.94449429; Eh | ||
 | /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_c5c4_no_cat B1 | Villar-Yanez, Alba | Gaussian; 09; EM64L-G09RevD.01 | RwB97XD | 6-311G(D,P) | -651.943278985; Eh | ||
 | /Pathway_c5c4_no_cat TS1A | Villar-Yanez, Alba | Gaussian; 09; EM64L-G09RevD.01 | RwB97XD | 6-311G(D,P) | -3226.22114628; Eh | ||
 | /Pathway_c5c4_no_cat Int1A | Villar-Yanez, Alba | Gaussian; 09; EM64L-G09RevD.01 | RwB97XD | 6-311G(D,P) | -3226.23156897; Eh | ||
 | /Pathway_c5c4_no_cat Int2B | Villar-Yanez, Alba | Gaussian; 09; EM64L-G09RevD.01 | RwB97XD | 6-311G(D,P) | -3226.20773723; Eh | ||
 | /Pathway_c5c4_no_cat Int3B | Villar-Yanez, Alba | Gaussian; 09; EM64L-G09RevD.01 | RwB97XD | 6-311G(D,P) | -3226.25144064; Eh | ||
 | /Pathway_c5c4_no_cat Int4B | Villar-Yanez, Alba | Gaussian; 09; EM64L-G09RevD.01 | RwB97XD | 6-311G(D,P) | -3226.26142345; Eh | ||
 | /Pathway_c5c4_no_cat TS4B | Villar-Yanez, Alba | Gaussian; 09; EM64L-G09RevD.01 | RwB97XD | 6-311G(D,P) | -3226.24612549; Eh | ||
 | /Pathway_c5c4_no_cat C1 | Villar-Yanez, Alba | Gaussian; 09; EM64L-G09RevD.01 | RwB97XD | 6-311G(D,P) | -651.985868487; Eh | ||
 | /Pathway_c4c5_cat B1 | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | RwB97XD | 6-311G(D,P) | -651.943278985; Eh | ||
 | /Pathway_c4c5_cat Al | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | RwB97XD | 6-311G(D,P) | -1569.96508434; Eh | ||
 | /Pathway_c4c5_cat Br | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | RwB97XD | 6-311G(D,P) | -2574.30674557; Eh | ||
 | /Pathway_c4c5_cat B1_Al | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | RwB97XD | 6-311G(D,P) | -2221.94449429; Eh |
Results 1-25 of 59 (Search time: 0.005 seconds).
Discover
Subject
Method
- 59 RwB97XD
Basis
- 59 6-311G(D,P)
Stoichiometry
- 30 C38H42AlBrNO6
- 17 C11H12BrO3
- 7 C11H12O3
- 2 Br
- 2 C38H42AlNO6
- 1 C27H30AlNO3
Program name
- 59 Gaussian
Calculation type
Institution