Search
Add filters:
Use filters to refine the search results.
- previous
- 1
- next
Item hits:
Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
15-Jan-2020 | /G09/UO2_OH_NO3_xH2O/UO2_3H2O UO2_3H2O | Petrus, Enric | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+G* SDD GEN | -1213.1784172; Eh | ||||
15-Jan-2020 | /G09/UO2_2NO3_xH2O/UO2_H2O UO2_H2O | Petrus, Enric | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+G* SDD GEN | -1264.7817836; Eh | ||||
15-Jan-2020 | /G09/UO2_2NO3_xH2O/UO2_2H2O UO2_2H2O | Petrus, Enric | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+G* SDD GEN | -1341.2377265; Eh | ||||
15-Jan-2020 | /G09/UO2_OH_NO3_xH2O/UO2_2H2O UO2_2H2O | Petrus, Enric | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+G* SDD GEN | -1136.7441152; Eh | ||||
15-Jan-2020 | /G09/UO2_OH_NO3_xH2O/UO2_H2O UO2_H2O | Petrus, Enric | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+G* SDD GEN | -1060.2937202; Eh | ||||
15-Jan-2020 | /G09/UO2_2NO3_xH2O/UO2_3H2O UO2_3H2O | Petrus, Enric | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+G* SDD GEN | -1417.6626273; Eh | ||||
22-Jul-2018 | /Mayer/UO2_2NO3_xH2O/UO2_2H2O UO2_2H2O | Petrus, Enric | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+G*; SDD | -1341.23772646; Eh | ||||
22-Jul-2018 | /Mayer/UO2_2NO3_xH2O/UO2_H2O UO2_H2O | Petrus, Enric | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+G*; SDD | -1264.78178362; Eh | ||||
22-Jul-2018 | /Mayer/UO2_2NO3_xH2O/UO2_3H2O UO2_3H2O | Petrus, Enric | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-31+G*; SDD | -1417.66262734; Eh |
Results 1-9 of 9 (Search time: 0.001 seconds).
Discover
Program name
- 9 Gaussian