122 results on '"Petkov, Petko St."'
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2. Design of PEG-modified magnetic nanoporous silica based miltefosine delivery system: Experimental and theoretical approaches
3. Control of the Hydroquinone/Benzoquinone Redox State in High-Mobility Semiconducting Conjugated Coordination Polymers
4. Investigating the Physicochemical Properties of an Extra-large Pore Aluminosilicate ZEO‑1.
5. Structure and electronic structure of Metal-Organic Frameworks within the Density-Functional based Tight-Binding method
6. Amino-modified KIT-6 mesoporous silica/polymer composites for quercetin delivery: Experimental and theoretical approaches
7. Species formed during NO adsorption and NO + O2 co-adsorption on ceria: A combined FTIR and DFT study
8. Visualizing the Flexibility of RHO Nanozeolite: Experiment and Modeling
9. Variation of the Orientations of Organic Structure-Directing Agents inside the Channels of SCM-14 and SCM-15 Germanosilicates Obtained by Ab Initio Molecular Dynamic Simulations.
10. High-mobility band-like charge transport in a semiconducting two-dimensional metal–organic framework
11. Engineering crystalline quasi-two-dimensional polyaniline thin film with enhanced electrical and chemiresistive sensing performances
12. A semiconducting layered metal-organic framework magnet
13. FTIR and density functional study of NO interaction with reduced ceria: Identification of N3− and NO2− as new intermediates in NO conversion
14. Experimental and Theoretical Study on the Homodimerization Mechanism of 3-Acetylcoumarin
15. The relative stability of SCM-14 germanosilicate with different distributions of germanium ions in the absence and presence of structure-directing agents
16. Acidic property of YNU-5 zeolite influenced by its unique micropore system
17. Defect Formation, T-Atom Substitution and Adsorption of Guest Molecules in MSE-Type Zeolite Framework—DFT Modeling
18. Interfacial Synthesis of Layer-Oriented 2D Conjugated Metal–Organic Framework Films toward Directional Charge Transport
19. Impurity Atoms on Small Transition Metal Clusters. Insights from Density Functional Model Studies
20. Density functional study of Ni 6 clusters containing impurity atoms
21. Influence of single impurity atoms on the structure, electronic, and magnetic properties of [Ni.sub.5] clusters
22. Computational Modelling of Nanoporous Materials
23. Contributors
24. Historical memory and official holidays in Bulgaria under socialism
25. Correction: Individual control of singlet lifetime and triplet yield in halogen-substituted coumarin derivatives
26. Dynamics of the OH stretching mode in crystalline Ba(ClO 4)2 ·3H2O
27. Optimization and in-vitro/in-vivo evaluation of doxorubicin-loaded chitosan-alginate nanoparticles using a melanoma mouse model
28. Conformational isomerism controls collective flexibility in metal–organic framework DUT-8(Ni)
29. Species formed during NO adsorption and NO + O 2 co-adsorption on ceria: A combined FTIR and DFT study
30. Dynamics of the OH stretching mode in crystalline Ba(ClO4)2·3H2O
31. Interaction of Na+, K+, Mg2+ and Ca2+ counter cations with RNA
32. CO coordination at C[Ni.sub.4] clusters with impurities X = H, C, O. A density functional study
33. Continuous-Wave Single-Crystal Electron Paramagnetic Resonance of Adsorption of Gases to Cupric Ions in the Zn(II)-Doped Porous Coordination Polymer Cu2.965Zn0.035(btc)2
34. Interaction of Na+, K+, Mg2+ and Ca2+ counter cations with RNA.
35. Hydrogen Atom Transfer from Water or Alcohols Activated by Presolvated Electrons
36. Solid state organic amine detection in a photochromic porous metal organic framework
37. Formation of N3− during interaction of NO with reduced ceria
38. Chapter 8 - Computational Modelling of Nanoporous Materials
39. Ab Initio Molecular Dynamics of Na+and Mg2+Countercations at the Backbone of RNA in Water Solution
40. Precise Identification of the Infrared Bands of the Polycarbonyl Complexes on Ni–MOR Zeolite by 12C16O–13C18O Coadsorption and Computational Modeling
41. Framework Stability of Heteroatom-Substituted Forms of Extra-Large-Pore Ge-Silicate Molecular Sieves: The Case of ITQ-44
42. Water Chemistry on Model Ceria and Pt/Ceria Catalysts
43. Reverse hydrogen spillover on and hydrogenation of supported metal clusters: insights from computational model studies
44. Density Functional Study of Hydrogen Bond Formation between Methanol and Organic Molecules Containing Cl, F, NH2, OH, and COOH Functional Groups
45. Reassignment of the Vibrational Spectra of Carbonates, Formates, and Related Surface Species on Ceria: A Combined Density Functional and Infrared Spectroscopy Investigation
46. Computational evaluation of the capability of transition metal exchanged zeolites for complete purification of hydrogen for fuel cell applications: the cheapest performs the best
47. Saturation of Small Supported Metal Clusters by Adsorbed Hydrogen. A Computational Study on Tetrahedral Models of Rh4, Ir4, and Pt4
48. Dynamics of the OH stretching mode in crystalline Ba(ClO4)2·3H2O.
49. CO Coordination at XNi4 Clusters with Impurities X = H, C, O. A Density Functional Study
50. Density functional study of Ni6 clusters containing impurity atoms
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