- previous
- 1
- next
Item hits:
| Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
|---|---|---|---|---|---|---|---|---|
 | 1 | Solé-Daura, Albert | Gaussian; 16; ES64L-G16RevC.01 | RwB97XD | LANL2DZ 6-31G(D,P) GENECP | -1831.94098188; Eh | ||
 | 3 | Solé-Daura, Albert | Gaussian; 16; ES64L-G16RevC.01 | RwB97XD | LANL2DZ 6-31G(D,P) GENECP | -1371.83549715; Eh | ||
 | 4a | Solé-Daura, Albert | Gaussian; 16; ES64L-G16RevC.01 | RwB97XD | LANL2DZ 6-31G(D,P) GENECP | -1372.30616151; Eh | ||
 | 4b | Solé-Daura, Albert | Gaussian; 16; ES64L-G16RevC.01 | RwB97XD | LANL2DZ 6-31G(D,P) GENECP | -1372.31823278; Eh | ||
 | TS4a-4b | Solé-Daura, Albert | Gaussian; 16; ES64L-G16RevC.01 | RwB97XD | LANL2DZ 6-31G(D,P) GENECP | -1372.27700443; Eh | ||
 | adduct_3-HTEOA | Solé-Daura, Albert | Gaussian; 16; ES64L-G16RevC.01 | RwB97XD | LANL2DZ 6-31G(D,P) GENECP | -1890.26200906; Eh | ||
 | TS3-4a | Solé-Daura, Albert | Gaussian; 16; ES64L-G16RevC.01 | RwB97XD | LANL2DZ 6-31G(D,P) GENECP | -1890.23473587; Eh | ||
 | TEOA | Solé-Daura, Albert | Gaussian; 16; ES64L-G16RevC.01 | RwB97XD | GEN | -517.914749547; Eh | ||
 | TEOA_cat | Solé-Daura, Albert | Gaussian; 16; ES64L-G16RevC.01 | RwB97XD | GEN | -517.145248760; Eh | ||
 | TEOA-enol | Solé-Daura, Albert | Gaussian; 16; ES64L-G16RevB.01 | RwB97XD | GEN | -516.686523310; Eh | ||
 | TEOA-aldehyde | Solé-Daura, Albert | Gaussian; 16; ES64L-G16RevB.01 | RwB97XD | GEN | -516.699945000; Eh | ||
 | Ru(bpy)3 | Solé-Daura, Albert | Gaussian; 16; ES64L-G16RevC.01 | RwB97XD | GEN | -1579.46071324; Eh | ||
 | PW12 | Solé-Daura, Albert | Gaussian; 16; ES64L-G16RevC.01 | RwB97XD | GEN | -4166.61988306; Eh | ||
 | adduct_CO2-TEOA | Solé-Daura, Albert | Gaussian; 16; ES64L-G16RevC.01 | RwB97XD | 6-31G(D,P) GENECP | -706.451442034; Eh | ||
 | adduct_HCOO-TEOA | Solé-Daura, Albert | Gaussian; 16; ES64L-G16RevC.01 | RwB97XD | 6-31G(D,P) GENECP | -707.171825027; Eh | ||
 | HTEOA-cat | Solé-Daura, Albert | Gaussian; 16; ES64L-G16RevC.01 | RwB97XD | GEN | -518.397573642; Eh |
- previous
- 1
- next
Results 1-16 of 16 (Search time: 0.133 seconds).