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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_m_CN | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP | -803.2194978; Eh | |||
 | 28-Feb-2024 | SP_m_F | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP | -810.2117092; Eh | |||
 | 4-Mar-2024 | SP_p_F | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP | -810.2122829; Eh | |||
 | 21-Apr-2024 | ESfreq | von Wolff, Niklas | Gaussian; 16; AM64L-G16RevC.01 | Single point Structure | RM06L; TD-FC | DEF2SVP | -1862.19147944; Eh | |||
 | 28-Feb-2024 | SP_Int10(1-C) | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP | -1298.0270536; Eh | |||
 | 28-Feb-2024 | SP_Int11 | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP | -1298.0151763; Eh | |||
 | 28-Feb-2024 | SP_Int14 | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP | -1527.2100398; Eh | |||
 | 28-Feb-2024 | SP_Int2 | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP | -1296.1111194; Eh | |||
 | 28-Feb-2024 | SP_Int1 | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP | -1296.1111925; Eh | |||
 | 28-Feb-2024 | SP_Benzyne | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP | -230.966982; Eh |
Results 221-230 of 264 (Search time: 0.002 seconds).
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Subject
- 91 Metathesis
- 91 Olefin metathesis
- 90 Arynes
- 90 C-H activation
- 90 DFT
- 90 Homogeneous catalysis
- 90 Palladium
Method
- 1 TD-FC