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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
28-Feb-2024 | SP_TS_p_CN | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP | -1291.9970542; Eh | ||||
28-Feb-2024 | SP_TS_p_OH | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP | -1274.9775484; Eh | ||||
28-Feb-2024 | SP_TS_p_Me | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP | -1239.0515898; Eh | ||||
28-Feb-2024 | SP_int2_A | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP | -1296.1111194; Eh | ||||
28-Feb-2024 | SP_int1_A | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP | -1296.1111925; Eh | ||||
28-Feb-2024 | SP_Int1_B | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP | -1296.1074486; Eh | ||||
28-Feb-2024 | SP_int1_C | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP | -1296.09855; Eh | ||||
28-Feb-2024 | SP_TS2_B | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP | -1296.0773912; Eh | ||||
28-Feb-2024 | SP_TS2_AA | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP | -1296.0727149; Eh | ||||
28-Feb-2024 | SP_TS2_A | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP | -1296.085532; Eh |
Results 141-150 of 184 (Search time: 0.002 seconds).