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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 7-Apr-2024 | SP_Int10_6-members | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP | -1102.642223; Eh | |||
 | 7-Apr-2024 | SP_TS5_6-members | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP | -1102.642223; Eh | |||
 | 28-Feb-2024 | SP_Int5(1-A) | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP | -1199.7482702; Eh | |||
 | 28-Feb-2024 | SP_Int7(1-B) | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP | -1201.6384608; Eh | |||
 | 28-Feb-2024 | SP_Pd3OAc6 | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP | -1755.5506938; Eh | |||
 | 28-Feb-2024 | SP_Ketone_Product | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP | -770.9801711; Eh | |||
 | 28-Feb-2024 | SP_Int4 | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP | -1199.7548975; Eh | |||
 | 28-Feb-2024 | SP_Int9 | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP | -1430.8529393; Eh | |||
 | 28-Feb-2024 | SP_Int8 | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP | -1430.8515021; Eh | |||
 | 28-Feb-2024 | SP_Int6 | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP | -1201.591613; Eh |
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- 90 C-H activation
- 90 DFT
- 90 Homogeneous catalysis
- 90 Palladium
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- 90 Gaussian