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Item hits:
| Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
|---|---|---|---|---|---|---|---|---|
 | /Butylamine/Uncatalyzed/TS TS | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | RB97D3 | - | -595.303333233; Eh | ||
 | /Butylamine/Uncatalyzed/AD AD | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | RB97D3 | - | -595.353466330; Eh | ||
 | /Butylamine/Uncatalyzed/Product Product | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | RB97D3 | - | -595.365672718; Eh | ||
 | /CCSD_T/Butylamine/Uncatalyzed/Product Product | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | RCCSD | - | -592.076424963; Eh | ||
 | /CCSD_T/Butylamine/Uncatalyzed/AD AD | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | RCCSD | - | -592.062457254; Eh | ||
 | /CCSD_T/Butylamine/Uncatalyzed/TS TS | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | RCCSD | - | -591.975684174; Eh |
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