31 results on '"Mijoule, C."'
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2. Pitting corrosion of copper in sulphate solutions: inhibitive effect of different triazole derivative inhibitors
3. Structural model of CO dissociation on Pd particles
4. Photo-assisted MOCVD of copper using Cu(hfa)(COD) as precursor
5. Theoretical vibrational study of the FX···O(CH3)2 hydrogen-bonded complex.
6. Quantum Monte Carlo method for some model and realistic coupled anharmonic oscillators.
7. Theoretical investigations of the metastable triplet state of benzophenone.
8. Theoretical investigations of excited states of glyoxal and biacetyl.
9. Charge distributions and chemical effects. XXXVI. Charge analysis involving configuration interaction: application to alkanes.
10. Extended gaussian-type valence basis sets for calculations involving non-empirical core pseudopotentials.
11. First principles calculations of vacancy–vacancy interactions in nickel: thermal expansion effects.
12. First-principles calculations of the diffusion of atomic oxygen in nickel: thermal expansion contribution.
13. Aluminium, gallium and indium dihydrides. An IR matrix isolation and ab initio study
14. Aluminium, gallium and indium trihydrides. an IR matrix isolation and ab initio study
15. Analysis of vibronic intensities in the phosphorescence spectrum of dimethylbenzaldehydes in durene
16. Theoretical vibrational study of the symmetric ν OH and ν O…O stretching modes of the formic acid dimer in the gas phase
17. An ab initio quantum chemical study of the formaldimine-water-formic acid system
18. On the dissociative nature of the first excited states of nitromethane
19. Theoretical vibrational study of the hydrogen-bonded complex FXF − (X=H OR D)
20. An LCGTO-MCP-LSD study of the (2 × 1) H-covered Pd(110) surface
21. Coadsorption of K and CO on Pd clusters: a density functional study
22. Semi-empirical computation of zero-field splittings in ground state triplet molecules: Nitrenobenzene and 9-nitrenoanthracene
23. On some properties of the lowest nπ * and ππ * triplet states of benzaldehyde
24. On the use of contracted basis functions in relativistic Hartree-Fock calculations
25. Double-well potential surface and associated vibrational frequencies in the ā 3A 2 nπ * state of formaldehyde
26. Size effects on adsorption energies of complex atoms and diatomic molecules on metal surfaces from small-cluster calculations.
27. On the Nonconservation of the Number of Nodal Cells of Eigenfunctions.
28. A DFT study of the NO adsorption on Pd n (n =1–4) clusters
29. Stability of vacancy-oxygen complexes in bulk nickel: Atomistic and ab initio calculations.
30. Stability of vacancy clusters in nickel: A molecular statics study.
31. Periodic density functional study of Rh and Pd interaction with the (100)MgO surface
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