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Item hits:
| Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
|---|---|---|---|---|---|---|---|---|
 | Acetophenone | Ortuño, Manuel | Gaussian; 09; EM64L-G09RevD.01 | RM062X | 6-31G** 6-31+G* GEN | -384.746857379; Eh | ||
 | HMPA | Ortuño, Manuel | Gaussian; 09; EM64L-G09RevD.01 | RM062X | 6-31G** 6-31+G* GEN | -820.114235670; Eh | ||
 | THF | Ortuño, Manuel | Gaussian; 09; EM64L-G09RevD.01 | RM062X | 6-31G** 6-31+G* GEN | -232.354886050; Eh | ||
 | 4TS_(TS4-6) | Ortuño, Manuel | Gaussian; 09; EM64L-G09RevD.01 | RM062X | 6-31G** 6-31+G* GEN | -1244.21554635; Eh | ||
 | 6TS_(TS6-9) | Ortuño, Manuel | Gaussian; 09; EM64L-G09RevD.01 | RM062X | 6-31G** 6-31+G* GEN | -1244.25955430; Eh |
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