Ushbu ish iqtibos qilgan ishlar

56 ta ish

Ish: Catalytic oxidation of toluene over five transition metal oxides supported on DTAB-templated MCM-41 mesoporous silica (Co, Cu, Mn, Fe, Ni): A combined experimental and DFT+U study

1. A consistent and accurate<i>ab initio</i>parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

   Stefan Grimme, Jens Antony, Stephan Ehrlich +1

   Maqola201076 iqtibos

   ABIABI:AkademIndex/2026.other.024826

2. From ultrasoft pseudopotentials to the projector augmented-wave method

   Georg Kresse, Daniel P. Joubert

   Maqola199949 iqtibos

   ABIABI:AkademIndex/2026.other.022625

3. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set

   Georg Kresse, J. Furthmüller

   Maqola199638 iqtibos

   ABIABI:AkademIndex/2026.other.037147

4. Electron-energy-loss spectra and the structural stability of nickel oxide:  An LSDA+U study

   S. L. Dudarev, Gianluigi A. Botton, Sergey Y. Savrasov +2

   Maqola199818 iqtibos

   ABIABI:AkademIndex/2026.other.022628

5. A fast and robust algorithm for Bader decomposition of charge density

   Graeme Henkelman, Andri Arnaldsson, Hannes Jónsson

   Maqola200514 iqtibos

   ABIABI:AkademIndex/2026.other.137521

6. Ordered mesoporous molecular sieves synthesized by a liquid-crystal template mechanism

   Charles T. Kresge, M. E. Leonowicz, Wiesław J. Roth +2

   Maqola199213 iqtibos

   ABIABI:AkademIndex/2026.other.314315

7. Electronic factors determining the reactivity of metal surfaces

   Bjørk Hammer, Jens K. Nørskov

   Maqola199510 iqtibos

   ABIABI:AkademIndex/2026.other.193076

8. A new family of mesoporous molecular sieves prepared with liquid crystal templates

   Jeffrey S. Beck, J.C. Vartuli, Wiesław J. Roth +9

   Maqola199210 iqtibos

   ABIABI:AkademIndex/2026.other.555076

9. Crystal orbital Hamilton populations (COHP): energy-resolved visualization of chemical bonding in solids based on density-functional calculations

   Richard Dronskowski, Peter E. Bloechl

   Maqola19936 iqtibos

   ABIABI:AkademIndex/2026.other.142222

10. Universality in Heterogeneous Catalysis

    Jens K. Nørskov, Thomas Bligaard, Á. Logadóttir +10

    Maqola20023 iqtibos

    ABIABI:AkademIndex/2026.other.830530

11. Sarlavhasiz

    BoshqaOAOchiq kirish2 iqtibos

    ABIABI:AkademIndex/2026.other.065663

12. Sarlavhasiz

    BoshqaOAOchiq kirish2 iqtibos

    ABIABI:AkademIndex/2026.other.1059868

13. Sarlavhasiz

    Boshqa2 iqtibos

    ABIABI:AkademIndex/2026.other.150257

14. Sarlavhasiz

    Boshqa2 iqtibos

    ABIABI:AkademIndex/2026.other.344491

15. Sarlavhasiz

    Boshqa2 iqtibos

    ABIABI:AkademIndex/2026.other.790301

16. Sarlavhasiz

    Boshqa1 iqtibos

    ABIABI:AkademIndex/2026.other.1071684

17. Sarlavhasiz

    Boshqa1 iqtibos

    ABIABI:AkademIndex/2026.other.1071685

18. Sarlavhasiz

    Boshqa1 iqtibos

    ABIABI:AkademIndex/2026.other.1071686

19. Sarlavhasiz

    Boshqa1 iqtibos

    ABIABI:AkademIndex/2026.other.1071687

20. Sarlavhasiz

    Boshqa1 iqtibos

    ABIABI:AkademIndex/2026.other.1071688

21. Sarlavhasiz

    Boshqa1 iqtibos

    ABIABI:AkademIndex/2026.other.1071689

22. Sarlavhasiz

    Boshqa1 iqtibos

    ABIABI:AkademIndex/2026.other.1071690

23. Sarlavhasiz

    Boshqa1 iqtibos

    ABIABI:AkademIndex/2026.other.1071691

24. Sarlavhasiz

    Boshqa1 iqtibos

    ABIABI:AkademIndex/2026.other.1071692

25. Sarlavhasiz

    Boshqa1 iqtibos

    ABIABI:AkademIndex/2026.other.1071693