257 results on '"Bonačić-Koutecký V"'
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2. Structural and optical properties of small oxygen-doped- and pure-silver clusters
3. The electronic structure and magnetic properties of the nickel tetramer and its partially carbonylated forms
4. Theoretical Concepts
5. Quantum Chemical Investigation of Absorption Spectra of Small Alkali Metal Clusters; Molecular Dimensionality Transition (2D–3D)
6. Quantum molecular interpretation of optical response properties of simple metal clusters
7. Quantum Chemical Interpretation of Absorption Spectra of Small Alkali Metal Clusters
8. Silver cluster induced absorption enhancement and conformation control of peptides
9. Mass-selected Ag3 clusters soft-landed onto MgO/Mo(100): femtosecond photoemission and first-principles simulations
10. Optical properties of small silver clusters supported at MgO
11. Reactivity of anionic gold oxide clusters towards CO: experiment and theory
12. Optical absorption of isolated silver cluster-tryptophan: A joint experimental and theoretical study
13. Dynamical aspects and the role of IVR for the reactivity of noble metal clusters towards molecular oxygen
14. Emissive properties of silver particles at silver oxide surface defects
15. Tailoring the chemical reactivity and optical properties of clusters by size, structures and lasers
16. Structural properties and reactivity of bimetallic silver-gold clusters
17. New strategy for optimal control of femtosecond pump-dump processes applicable to systems of moderate complexity
18. $$ {\rm{V}}_2 {\rm{O}}_5^ + $$ reaction with C2H4: theoretical considerations of experimental findings
19. Theoretical investigation of the ultrafast NeNePo spectroscopy of Au 4 and Ag 4 Clusters
20. Theoretical exploration of ultrafast spectroscopy of small clusters
21. Cluster properties in the regime in which each atom counts
22. Interactions of CO with Au nO m− ( n ≥ 4)
23. Size-Dependent Ultrafast Relaxation Phenomena in Metal Clusters
24. Photophysics of Internal Twisting
25. Quantum chemical study of electronic and dynamic properties of metal and mixed non-stoichiometric clusters
26. Ab-initio study of optical response properties of nonstoichiometric lithium-hydride and sodium-fluoride clusters with one- and two-excess electrons
27. Ab-initio molecular dynamics based on non-local density functional procedure with Gaussian basis; study of structural and temperature behaviour of metallic clusters
28. Nature of excitations in small alkali metal and other mixed clusters
29. AB INITIO DENSITY FUNCTIONAL MOLECULAR DYNAMICS WITH GAUSSIAN BASIS: INVESTIGATION OF STRUCTURAL AND DYNAMICAL PROPERTIES OF SMALL METALLIC CLUSTERS
30. Quantum molecular interpretation of absorption spectra of small alkali metal clusters
31. Ab-initio study of structural and optical properties of nonstoichiometric alkalimetal- oxides
32. Ab-initio study of optical response properties of nonstoichiometric lithium-hydride and sodium-fluoride clusterswith one- and two-excess electrons
33. Ab-initio molecular dynamics based on non-local density functional procedure with Gaussian basis; study of structural and temperature behaviour of metallic clusters
34. Ab-initio study of structural and optical properties of nonstoichiometric alkalimetal- oxides
35. Quantum Chemical Interpretation of Absorption Spectra of Small Alkali Metal Clusters
36. Quantum molecular interpretation of absorption spectra of small alkali metal clusters
37. Ground and excited states properties of Na4F m=1−3, Li4H and Li4H2 clusters
38. ECP-CI study of electronic structure and geometry of small neutral and charged Ag n clusters; Predictions and interpretation of measured properties
39. Ab initio three-dimensional quantum dynamics of Ag 3 clusters in the NeNePo process
40. Electronic Structure and Basic Properties of Small Alkali Metal Clusters
41. General properties of the electronic structure of alkali metal clusters and Ia-IIa mixed clusters
42. Core-valence correlation potentials based on density functional theory. Applications to valence-electron-only calculations on Na and K diatomics
43. Critically heterosymmetric biradicaloid geometries of of protonated Schiff bases: Possible consequences for photochemistry and photobiology
44. CI comparative study of the potential-energy and dipole moment surfaces for torsion of propylene in two differnt conformations: Eclipsed and staggered
45. Quantum Chemical Investigation of Alkali Metal Clusters and Its Use for Interpretation and Predictions of Experiments in Cluster Research
46. Description of the Diradical State by the Direct Minimization Method
47. Quantum molecular interpretation of optical response properties of simple metal clusters
48. Speciation of Copper–Peptide Complexes in Water Solution Using DFTB and DFT Approaches: Case of the [Cu(HGGG)(Py)] Complex
49. Synthesis and Spectroscopic Characterization of Diphenylargentate, [(C6H5)2Ag]−
50. Structural and Photochemical Properties of Organosilver Reactive Intermediates MeAg2+ and PhAg2+
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