108 results on '"Decleva P"'
Search Results
2. Photoelectron circular dichroism of isopropanolamine
3. A study of the valence shell electronic states of s-triazine by photoabsorption spectroscopy and ab initio calculations
4. A study of the valence shell electronic structure and photoionisation dynamics of s-triazine
5. A study of the valence shell photoionisation dynamics of pyrimidine and pyrazine
6. S 2p photoabsorption of the SF 5CF 3 molecule: Experiment, theory and comparison with SF 6
7. Time Dependent Density Functional Theory description of giant resonances in transition metal complexes: The photoionization dynamics of Cr(CO) 6
8. Photoelectron spectroscopy of sulfur L levels in the SF 5CF 3 molecule
9. Valence and core photoionization dynamics of acetylene by TD-DFT continuum approach
10. Time dependent density functional photoionization of CH 4, NH 3, H 2O and HF
11. Convergence of the multicenter B-spline DFT approach for the continuum
12. Theoretical study of the photoionization shape resonances of cobaltocene and nickelocene
13. Response function study of CO photoionization: ab initio SCF and density functional results
14. Theoretical description of the NEXAFS Cl 1s and 2p spectra of ClF and ClF 3
15. S 2p photoabsorption of the SF5CF3 molecule: Experiment, theory and comparison with SF6
16. Photoelectron spectroscopy of sulfur L levels in the SF5CF3 molecule
17. Time dependent density functional photoionization of CH4, NH3, H2O and HF
18. Ab-initio CI calculations of the C1s and Cl1s and 2p core excitation spectra of the freon molecules: CCl4, CFCl3, CF2Cl2 and CF3Cl
19. Valence photoionization of C6H6 by the B-spline one-centre expansion density functional method
20. Theoretical study of the Cl1s and 2p near edge photoabsorption spectra of HCl by accurate ab-initio configuration interaction and density functional approaches
21. TDLDA calculations of photoionization cross-section and asymmetry parameter profiles of alkaline-earth atoms
22. Highly correlated QDPT-CI calculations of valence and core photoelectron spectra of Ne
23. Ab initio and density functional calculations of core excitation spectra of CO, H2CO and F2CO
24. Correlation effects in core and valence photoelectron spectra of alkene molecules
25. Density functional calculations of excitation energies and oscillator strengths for and excitations and ionization potentials in carbonyl containing molecules
26. Molecular orbital description of core excitation spectra in transition metal compounds. An ab initio CI calcultaion on TiCl4 and isoelectronic molecules
27. LCAO expansion in a spline basis for accurate variational determination of continuum wavefunctions. Applications to H+2 and HeH2+
28. Ab initio calculations of the core ionization spectra of unsaturated hydrocarbons
29. Ab initio CI calculation of K shell absorption spectra in transition metal compounds
30. Quasidegenerate perturbation theory applied to the calculation of excitation spectra
31. Cooperative core hole screening mechanism in adsorbates: its hindrance in the NEXAFS spectra of the CO/Ni and N2/Ni systems
32. On the core hole screening mechanism in adsorbates in the absence of low lying π acceptor orbitals
33. 2p excitation spectra of transition metal compounds as a probe of local electronic structure: A theoretical determination
34. Many-body calculation of the core hole spectrum of PdN2
35. Many-body calculation of the XPS core hole spectra of NiN2
36. Variational approach to continuum orbitals in a spline basis: An application to H2+ photoionization
37. Many-body calculations of the core hole spectra of NiCO
38. Theoretical study of the Cl 1s and 2p near edge photoabsorption spectra of HCl by accurate ab-initio configuration interaction and density functional approaches
39. Molecular orbital description of core excitation spectra in transition metal compounds. An ab initio CI calcultaion on TiCl4and isoelectronic molecules
40. Empty levels in germanium compounds studied by XAS, ISEELS, ETS, DEAS and ab initio calculations: GeH~4, GeCl~4 and Ge(CH~3)~3Cl
41. An ab initio study of the satellite structure in the heteroatom core ionization of furan, pyrrole and thiophene
42. Cl Calculations on the alkaline-earth atoms: A comparison with 2ph-TDA green function results
43. Theoretical study of the correlation effects in the photoelectron spectrum of bis(π-allyl)nickel
44. Molecular orbital description of core excitation spectra in transition metal compounds. An ab initio CI calcultaion on TiCl 4 and isoelectronic molecules
45. Valence photoionization of C 6H 6 by the B-spline one-centre expansion density functional method
46. Ab-initio CI calculations of the C1s and Cl1s and 2p core excitation spectra of the freon molecules: CCl 4, CFCl 3, CF 2Cl 2 and CF 3Cl
47. Cooperative core hole screening mechanism in adsorbates: its hindrance in the NEXAFS spectra of the CO/Ni and N 2/Ni systems
48. LCAO expansion in a spline basis for accurate variational determination of continuum wavefunctions. Applications to H +2 and HeH 2+
49. Variational approach to continuum orbitals in a spline basis: An application to H 2+ photoionization
50. Density functional calculations of excitation energies and oscillator strengths for [formula omitted] and [formula omitted] excitations and ionization potentials in carbonyl containing molecules
Catalog
Books, media, physical & digital resources
Discovery Service for Jio Institute Digital Library
For full access to our library's resources, please sign in.