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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Feb-2024 | Benzyne | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Geometry optimization Minimum | RM06L | DEF2SVP | -230.721424499; Eh | |||
 | 28-Feb-2024 | Int7 | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Geometry optimization Minimum | RM06L | DEF2SVP | -1296.69763757; Eh | |||
 | 28-Feb-2024 | Int9 | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Geometry optimization Minimum | RM06L | DEF2SVP | -1525.65677313; Eh | |||
 | 28-Feb-2024 | Int8 | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Geometry optimization Minimum | RM06L | DEF2SVP | -1525.65778886; Eh | |||
 | 28-Feb-2024 | Int6 | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Geometry optimization Minimum | RM06L | DEF2SVP | -1296.65589565; Eh | |||
 | 28-Feb-2024 | Pd3OAc6 | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Geometry optimization Minimum | RM06L | DEF2SVP | -1753.90608194; Eh | |||
 | 28-Feb-2024 | Ketone_Product | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Geometry optimization Minimum | RM06L | DEF2SVP | -770.175099309; Eh | |||
 | 28-Feb-2024 | Int3 | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Geometry optimization Minimum | RM06L | DEF2SVP | -1198.54951289; Eh | |||
 | 28-Feb-2024 | Int2 | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Geometry optimization Minimum | RM06L | DEF2SVP | -1294.80148043; Eh | |||
 | 28-Feb-2024 | p_NO2 | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Geometry optimization Minimum | RM06L | DEF2SVP | -914.521565751; Eh |
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- 56 Arynes
- 56 C-H activation
- 56 DFT
- 56 Homogeneous catalysis
- 56 Palladium
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- 56 Gaussian