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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Feb-2024 | TSC1C2 | diaz, alex | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RB3LYP | CC-PVDZ GEN | -2767.77613248; Eh | |||
 | 27-Feb-2024 | TSA8A9 | diaz, alex | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RB3LYP | CC-PVDZ GEN | -3804.28685352; Eh | |||
 | 27-Feb-2024 | TSA4A5Prim | diaz, alex | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RB3LYP | CC-PVDZ GEN | -2767.80291627; Eh | |||
 | 27-Feb-2024 | TSB63a | diaz, alex | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RB3LYP | CC-PVDZ GEN | -2767.88820573; Eh | |||
 | 27-Feb-2024 | TSA4Re | diaz, alex | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RB3LYP | CC-PVDZ GEN | -2767.81801356; Eh | |||
 | 27-Feb-2024 | TSB63a | diaz, alex | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RB3LYP | CC-PVDZ GEN | -2767.88820573; Eh | |||
 | 27-Feb-2024 | TSA1A2Prim | diaz, alex | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RB3LYP | CC-PVDZ GEN | -2767.78475570; Eh | |||
 | 27-Feb-2024 | TSB1B2 | diaz, alex | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RB3LYP | CC-PVDZ GEN | -2767.77954055; Eh | |||
 | 27-Feb-2024 | TSB4B5 | diaz, alex | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RB3LYP | CC-PVDZ GEN | -2767.81095975; Eh | |||
 | 27-Feb-2024 | TSA4BH | diaz, alex | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RB3LYP | CC-PVDZ GEN | -2767.80451189; Eh |
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Subject
- 19 Cycloaddition
- 19 Rhodium
Method
- 57 RB3LYP