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. |
---|---|---|---|---|---|---|---|---|---|---|---|
![]() | 12-Feb-2019 | ss-ZnNi-2522 | García Muelas, Rodrigo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -157.00417085; eV | |||
![]() | 12-Feb-2019 | ss-ZnRu-2323 | García Muelas, Rodrigo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -189.22289021; eV | |||
![]() | 12-Feb-2019 | ss-ZnPd-2221 | García Muelas, Rodrigo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -148.99854914; eV | |||
![]() | 12-Feb-2019 | ss-RuNi-2201 | García Muelas, Rodrigo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -398.21881244; eV | |||
![]() | 12-Feb-2019 | ss-RhRu-2223 | García Muelas, Rodrigo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -396.92387458; eV | |||
![]() | 12-Feb-2019 | ss-PdRh-2412 | García Muelas, Rodrigo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -303.06094419; eV | |||
![]() | 12-Feb-2019 | ss-RhAg-2413 | García Muelas, Rodrigo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -312.15580376; eV | |||
![]() | 12-Feb-2019 | ss-CuPd-2401 | García Muelas, Rodrigo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -221.50180918; eV | |||
![]() | 12-Feb-2019 | ss-PdAg-2501 | García Muelas, Rodrigo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -249.42401172; eV | |||
![]() | 12-Feb-2019 | ss-NiZn-2001 | García Muelas, Rodrigo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -217.53994189; eV |
Results 31-40 of 1094 (Search time: 0.001 seconds).
Discover
Subject
- 1094 Bilinear model
- 1094 Bilinear regression
- 1094 Biomass upgrade
- 1094 d-band center
- 1094 Principal Component Analysis
- 1094 Principal Component Regression
- 1094 Sugar alcohols
- 1094 Thermochemistry
Method
- 1094 DFT