29 results on '"Bouteiller, Y."'
Search Results
2. Identification of two quanta simultaneous vibrational transitions in the dimer water trapped in inert matrices
3. Determination of vibrational parameters of methanol from matrix-isolation infrared spectroscopy and ab initio calculations. Part 2 – Theoretical treatment including a perturbative approach of the resonances within the methyl group
4. Determination of vibrational parameters of methanol from matrix-isolation infrared spectroscopy and ab initio calculations. Part 1 – Spectral analysis in the domain 11 000–200 cm −1
5. Infrared spectra calculated by quantum chemistry with anharmonic corrections: Application to hydrogen-bonded complexes of nitric acid with various bases
6. The vibrational spectrum of (H 2O) 2: comparison between anharmonic ab initio calculations and neon matrix infrared data between 9000 and 90 cm −1
7. Are the modified hybrid functional predictions reliable for the PH 3–HF hydrogen bonded system?
8. Aluminium, gallium and indium dihydrides. An IR matrix isolation and ab initio study
9. Aluminium, gallium and indium trihydrides. an IR matrix isolation and ab initio study
10. Ab initio study of the infrared photoconversion in the water-hydrogen iodide system
11. Infrared photoisomerization of the methanol dimer trapped in argon matrix: monochromatic irradiation experiments and DFT calculations
12. Theoretical vibrational study of the symmetric ν OH and ν O…O stretching modes of the formic acid dimer in the gas phase
13. Theoretical vibrational study of the hydrogen-bonded complex FXF − (X=H OR D)
14. Ab initio calculations of potential barbiers for ionic conductivity of the β-PbF 2 compound
15. New theoretical interpretation of acetone—FX (X = H, D) infrared spectrum in the gas phase
16. Determination of structural and vibrational properties of some lead compounds by pseudo-potential methods
17. Matrix isolation infrared spectroscopy and DFT calculations of complexes between water and nitrogen
18. Electronic and vibrational study of the Li 2CO complex using density functional theory
19. Methodological study of Becke3-LYP density functional adapted to the determination of accurate infrared signature for hydrogen-bonded complexes
20. Influence of electron correlation effects on calculated properties and vibrational spectra of FF ⋯ NH 3 and FCl ⋯ NH 3 charge transfer complexes
21. Theoretical study of hydrogen-bonded complexes in the gas phase: spectra of FH⋯O(CH 3) 2, FH⋯O(C 2H 5) 2 and their deuterated analogues. Reconstruction of the first overtone
22. Ab initio study of proton transfer between methylnitroamine and trimethylamine
23. Stretching force constants and derivatives of the dipole moment of the F-HNCH hydrogen-bonded complex. Preliminary results at the SCF level
24. Cubic force constants of the FH⋯OH 2 and FH⋯O(CH 3) 2hydrogen-bonded complexes. An analyses of computed Ab initio SCF values
25. Double-well potential surface and associated vibrational frequencies in the ā 3A 2 nπ * state of formaldehyde
26. Cubic and quartic force constants of some stretching and out-of-plane bending modes of the FH…OH 2 complex: A three-dimensional hypersurface analysis
27. The water-methanol complexes. Matrix induced structural conversion of the 1-1 species
28. Theoretical electronic and vibrational study of AlCO and Al(CO) 2 using density functional theory
29. NMR chemical shifts and the electronic structure of lead in lead halides
Catalog
Books, media, physical & digital resources
Discovery Service for Jio Institute Digital Library
For full access to our library's resources, please sign in.