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 | GEOM07_TSRedEl_Ni4 | montilla, marc | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RBP86 | DEF2SVP | -2837.66872423; Eh | |||
 | 28-Feb-2024 | GEOM04_TSRedEl_Ni3 | montilla, marc | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | UBP86 | DEF2SVP | -2837.85669991; Eh | |||
 | 27-Feb-2024 | TSA9A10 | diaz, alex | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RB3LYP | CC-PVDZ GEN | -3804.29149565; Eh | |||
 | 27-Feb-2024 | TSA1A2 | diaz, alex | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RB3LYP | CC-PVDZ GEN | -2767.79161163; Eh | |||
 | 27-Feb-2024 | TSA11 | diaz, alex | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RB3LYP | CC-PVDZ GEN | -2644.56460106; Eh | |||
 | 27-Feb-2024 | TSA6A7 | diaz, alex | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RB3LYP | CC-PVDZ GEN | -3060.31759358; Eh | |||
 | 27-Feb-2024 | TSB3B4 | diaz, alex | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RB3LYP | CC-PVDZ GEN | -2767.81357024; Eh | |||
 | 27-Feb-2024 | TSA11 | diaz, alex | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RB3LYP | CC-PVDZ GEN | -2644.56460106; Eh | |||
 | 27-Feb-2024 | TSA6A7 | diaz, alex | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RB3LYP | CC-PVDZ GEN | -3060.31759358; Eh | |||
 | 27-Feb-2024 | TSA4BH | diaz, alex | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RB3LYP | CC-PVDZ GEN | -2767.80451189; Eh |
Results 111-120 of 153 (Search time: 0.0 seconds).
Discover
Subject
Date issued
- 2 2023