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Keyword [Density Functional Calculations]
Result: 21 - 38 | Page: 2 of 2
21. The Theoretical Study On Sensitivity And Selectivity Of WO3 Nanowire Concluding Oxygen Vacancy （WO3（Vo））
22. Trends In Geometric And Properties Of Bimetallic Clusters Cu_nM (M=V,Nb;n=1-12): Insight From Density Functional Calculations
23. Synthesis,spectra,and Theoretical Investigations Of 1,3,5-triazines Compounds As Ultraviolet Rays Absorber Based On Time-dependent Density Functional Calculations And 3D-QSPR
24. Rearch On HNO Radical Using Molecular Simulation
25. Density Functional Study Of Al_nPd_m(n=1-10,m=1,2) And Cu_nZr(n=1-12) Alloy Clusters
26. Tuning The Mechanical And Electrical Properties Of The Ti2CO2 Mxene By Applying Strains
27. Terahertz Spectroscopy And Density Functional Calculations Of The Carbamazepine Cocrystals
28. Controllable Synthesis And Catalytic Properties Of Novel Copper Nanostructures
29. Density-functional calculations of excitations in doped helium nanodroplets
30. Interpretation of gas phase dissociation processes in mass spectrometry using ab initio and density functional calculations
31. Density Functional Calculations of Physical Properties of Sodium Oxide
32. Density functional calculations on the magnetic properties of uranium surfaces
33. Density functional calculations on transition metal compounds: From metal tris-acetylacetonates to the active site of cytochrome P450cam
34. The nature of metal-adsorbate interactions revealed by density functional calculations on complexes and clusters and by a new embedded cluster approach
35. Structural Studies Of Polymorphs Of Pharmaceutical Compound Using Solid-State NMR Spectroscopy
36. Theoretical Study Of Catalytic Mechanism For DMSP Cleavage By RlDddP
37. Mechanistic Studies On Cu-catalyzed/Mediated C（sp~3）-H Amidation And Acetoxylation
38. Construction Of Transition Metal Phosphide-Based Electrode Materials And Energy Storage Mechanism
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