Search
Add filters:
Use filters to refine the search results.
Item hits:
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Feb-2024 | SP_Int5 | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP | -1296.1076217; Eh | |||
 | 28-Feb-2024 | SP_Int7 | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP | -1297.9902609; Eh | |||
 | 28-Feb-2024 | SP_Int8 | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP | -1527.2020311; Eh | |||
 | 28-Feb-2024 | SP_Int9 | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP | -1527.202243; Eh | |||
 | 28-Feb-2024 | SP_Int6 | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP | -1297.9526115; Eh | |||
 | 28-Feb-2024 | Int5 | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Geometry optimization Minimum | RM06L | DEF2SVP | -1294.79901213; Eh | |||
 | 28-Feb-2024 | Substrate_6-membered-ring | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Geometry optimization Minimum | RM06L | DEF2SVP | -514.990230795; Eh | |||
 | 28-Feb-2024 | SP_TS7 | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP | -1527.199519; Eh | |||
 | 28-Feb-2024 | SP_TS6 | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP | -1527.1918449; Eh | |||
 | 28-Feb-2024 | Substrate | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Geometry optimization Minimum | RM06L | DEF2SVP | -710.181708586; Eh |
Results 41-50 of 184 (Search time: 0.001 seconds).
Discover
Subject
- 184 Arynes
- 184 DFT
- 184 Homogeneous catalysis
- 184 Palladium