Search
Add filters:
Use filters to refine the search results.
Community Hits:
| Community Name |
|---|
| Bo Research Group |
| Llobet Research Group |
| Lloret-Fillol Research Group |
| López Research Group |
| Maseras Research Group |
Collection hits:
| Collection Name |
|---|
| Thermodynamic Stability of Heterodimetallic [LnLn’] Complexes |
Item hits:
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 18-Apr-2017 | /M06-2X Int1_1mono | Mateo, Anna | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM062X | LanL2DZ; 6-311G** | -961.830064350; Eh | |||
 | 21-Jul-2017 | TS(5i-5k) | de Orbe, M. Elena | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | 6-31G*; SDD | -1214.18744554; Eh | |||
 | 20-Jul-2017 | MECP1t-H | Mudarra, Ángel Luís | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | LANL2DZ; 6-31G(d) | -2194.48471880; Eh | |||
| 18-Apr-2017 | /M06-2X NaOPh | Mateo, Anna | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM062X | - | -469.140307082; Eh |
Results 41-50 of 26440 (Search time: 0.003 seconds).
Discover
Subject
- 3179 Palladium
- 3064 Platinum
- 2743 Ruthenium
- 2493 Methanol
- 2018 Principal Component Analysis
- 1994 Nickel
- 1817 Alcohols
- 1627 Homogeneous catalysis
- 1578 Poly-alcohols
- 1569 Big data
- next >