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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 25-Nov-2024 | /Tetracene/Dimers Dimer_BF | Ionut Octavian, Stan | GronOR; 23.00; under active development | NOCI | NOCI-Fragments | - | -1377.63941583; Eh | |||
 | 1-Mar-2024 | /Metal_structures/Cu_structures Cu-bulk-15 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -14.57150515; eV | |||
 | 1-Mar-2024 | /Metal_structures/Cu_structures Cu111 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -223.70563508; eV | |||
 | 1-Mar-2024 | /Metal_structures/Cu_structures Cu100 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -109.52549268; eV | |||
 | 1-Mar-2024 | /Metal_structures/Cu_structures Cu1 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -0.24182536; eV | |||
 | 1-Mar-2024 | /Metal_structures/Ni_structures Ni38-20 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -140.66517521; eV | |||
 | 1-Mar-2024 | /Metal_structures/Ni_structures Ni19-25 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -59.68441177; eV | |||
 | 1-Mar-2024 | /Metal_structures/Ni_structures Ni19-m15 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -59.91405593; eV | |||
 | 1-Mar-2024 | /Metal_structures/Ni_structures Ni19-15 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -65.40319943; eV | |||
 | 1-Mar-2024 | /Metal_structures/Ni_structures Ni14-m10 | Strugovshchikov, Evgenii | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -45.44103350; eV |
Results 1271-1280 of 2579 (Search time: 0.001 seconds).
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Subject
- 218 Polyoxometalates
- 116 Adsorption
- 91 Fullerenes
- 77 Boron
- 77 Vanadium
- 68 Protonation
- 68 Vanadates
- 61 Bioinorganic chemistry
- 61 Biological activity
- 58 Epoxidation
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Date issued
- 3 2016