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_Int9-RE | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP | -1334.4834297; Eh | ||||
28-Feb-2024 | SP_TS-RE | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP | -1334.4419831; Eh | ||||
28-Feb-2024 | SP_TS2_C | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Single point Structure | RM06L | DEF2TZVP | -1296.0504363; Eh |
Results 1521-1523 of 1523 (Search time: 0.002 seconds).
Discover
Subject
- 999 Density functional calculations
- 885 Water splitting
- 185 Arynes
- 185 C-H activation
- 185 DFT
- 185 Palladium
- 151 Amides
- 128 Iron
- 123 Molybdenum
- 120 Heterogeneous catalysis
- next >
Program name
- 1523 Gaussian
Calculation type