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Item hits:
| Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
|---|---|---|---|---|---|---|---|---|
 | nob-TS-DR | Ortuño Maqueda, Manuel Angel | Gaussian; 16; ES64L-G16RevC.01 | RM06 | LANL2DZ 6-31+G(D,P) 6-31G(D,P) GEN | -2719.54781813; Eh | ||
 | nob-TS-DS | Ortuño Maqueda, Manuel Angel | Gaussian; 16; ES64L-G16RevC.01 | RM06 | LANL2DZ 6-31+G(D,P) 6-31G(D,P) GEN | -2719.53572058; Eh | ||
 | nob-TS-UR | Ortuño Maqueda, Manuel Angel | Gaussian; 16; ES64L-G16RevC.01 | RM06 | LANL2DZ 6-31+G(D,P) 6-31G(D,P) GEN | -2719.51035783; Eh | ||
 | nob-TS-US | Ortuño Maqueda, Manuel Angel | Gaussian; 16; ES64L-G16RevC.01 | RM06 | LANL2DZ 6-31+G(D,P) 6-31G(D,P) GEN | -2719.53066030; Eh | ||
 | val-TS-DR | Ortuño Maqueda, Manuel Angel | Gaussian; 16; ES64L-G16RevC.01 | RM06 | LANL2DZ 6-31+G(D,P) 6-31G(D,P) GEN | -2221.17913741; Eh | ||
 | val-TS-DS | Ortuño Maqueda, Manuel Angel | Gaussian; 16; ES64L-G16RevC.01 | RM06 | LANL2DZ 6-31+G(D,P) 6-31G(D,P) GEN | -2221.16706162; Eh | ||
 | val-TS-UR | Ortuño Maqueda, Manuel Angel | Gaussian; 16; ES64L-G16RevC.01 | RM06 | LANL2DZ 6-31+G(D,P) 6-31G(D,P) GEN | -2221.15874570; Eh | ||
 | val-TS-US | Ortuño Maqueda, Manuel Angel | Gaussian; 16; ES64L-G16RevC.01 | RM06 | LANL2DZ 6-31+G(D,P) 6-31G(D,P) GEN | -2221.17048505; Eh | ||
 | nob-pd-dmso | Ortuño Maqueda, Manuel Angel | Gaussian; 16; ES64L-G16RevC.01 | RM06 | LANL2DZ 6-31+G(D,P) 6-31G(D,P) GEN | -2284.83253921; Eh | ||
 | val-pd-dmso | Ortuño Maqueda, Manuel Angel | Gaussian; 16; ES64L-G16RevC.01 | RM06 | LANL2DZ 6-31+G(D,P) 6-31G(D,P) GEN | -1786.45748299; Eh |
Results 1-10 of 10 (Search time: 0.058 seconds).