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Item hits:
Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
---|---|---|---|---|---|---|---|---|
pom2_2 | Sole, Albert | Gaussian; 09; EM64L-G09RevD.01 | RB3LYP | - | -5751.14416347; Eh | |||
adduct-3_tba-mediated | Sole, Albert | Gaussian; 09; EM64L-G09RevD.01 | RB3LYP | - | -12188.3965050; Eh | |||
pom1_3 | Sole, Albert | Gaussian; 09; EM64L-G09RevD.01 | RB3LYP | - | -5751.19262679; Eh | |||
pom2_3 | Sole, Albert | Gaussian; 09; EM64L-G09RevD.01 | RB3LYP | - | -5751.14416347; Eh | |||
tba_2 | Sole, Albert | Gaussian; 09; EM64L-G09RevD.01 | RB3LYP | - | -686.015050513; Eh | |||
tba_3 | Sole, Albert | Gaussian; 09; EM64L-G09RevD.01 | RB3LYP | - | -686.026550534; Eh | |||
adduct-2_tba-mediated | Sole, Albert | Gaussian; 09; EM64L-G09RevD.01 | RB3LYP | - | -12188.3963789; Eh | |||
pom1_2 | Sole, Albert | Gaussian; 09; EM64L-G09RevD.01 | RB3LYP | - | -5751.17149045; Eh | |||
pom2_1 | Sole, Albert | Gaussian; 09; EM64L-G09RevD.01 | RB3LYP | - | -5751.14738637; Eh | |||
adduct-1_tba-mediated | Sole, Albert | Gaussian; 09; EM64L-G09RevD.01 | RB3LYP | - | -12188.3522632; Eh | |||
tba_1 | Sole, Albert | Gaussian; 09; EM64L-G09RevD.01 | RB3LYP | - | -686.025411030; Eh | |||
pom1_1 | Sole, Albert | Gaussian; 09; EM64L-G09RevD.01 | RB3LYP | - | -5751.10527399; Eh | |||
pom1_4 | Sole, Albert | Gaussian; 09; EM64L-G09RevD.01 | RB3LYP | - | -5751.14050323; Eh | |||
adduct-4_direct | Sole, Albert | Gaussian; 09; EM64L-G09RevD.01 | RB3LYP | - | -11502.2976137; Eh | |||
pom2_6 | Sole, Albert | Gaussian; 09; EM64L-G09RevD.01 | RB3LYP | - | -5751.13415150; Eh | |||
pom1_6 | Sole, Albert | Gaussian; 09; EM64L-G09RevD.01 | RB3LYP | - | -5751.14871761; Eh | |||
adduct-6_direct | Sole, Albert | Gaussian; 09; EM64L-G09RevD.01 | RB3LYP | - | -11502.2845896; Eh | |||
pom2_5 | Sole, Albert | Gaussian; 09; EM64L-G09RevD.01 | RB3LYP | - | -5751.15534709; Eh | |||
pom1_5 | Sole, Albert | Gaussian; 09; EM64L-G09RevD.01 | RB3LYP | - | -5751.13259707; Eh | |||
adduct-5_direct | Sole, Albert | Gaussian; 09; EM64L-G09RevD.01 | RB3LYP | - | -11502.2896522; Eh | |||
pom2_4 | Sole, Albert | Gaussian; 09; EM64L-G09RevD.01 | RB3LYP | - | -5751.14558778; Eh |
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