38 results on '"Berthier, G."'
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2. Molecular aspects of the β-decay in Tc clusters
3. Looking for the PC bond in space: HPCO and HPCS as possible tracers
4. Reassessment of the [formula omitted] ground state reaction by quantum chemistry methods
5. Components of the interaction energy of benzene with Na + and methylammonium cations
6. Theoretical study of a basic process in interstellar nitrogen chemistry: reaction of N with OH
7. Intramolecular charge transfer and trans-cis isomerization of the DCM styrene dye in polar solvents. A CS INDO MRCI study
8. Molecular force fields of uracil and thymine, through neutron inelastic scattering experiments and scaled quantum mechanical calculations
9. Electronic structure of metal monocarbonyls
10. Use of perturbed first-order density matrices in multi-reference configuration interaction expansions
11. Correlated second-order perturbation studies of spin–spin nuclear coupling constants from CS-INDO molecular orbitals: polymethine compounds
12. Hydrogen bonding effects in quantum mechanical fore fields of pyrimidine bases: uracil
13. Theoretical and photophysical study of photoisomerism of cyanine dyes: bisphenylaminopentamethine cyanine (BPPC)
14. Perturbations into high-order WKB schemes for solving one-dimensional quantum-mechanical models
15. Electronic structure and bonding of transition metal complexes MCO (MCu, Fe, Ti)
16. Forces at the nuclei of a molecule in the presence of non-uniform electric field
17. Compared performances of the molecular orbital and density functional theories for fragments of biomolecules
18. Comparison of correlation effects from CI calculations including polarization or eccentric basis functions: BH, CH +, BeH − as test cases
19. Full finite perturbation calculations of NMR screening constants and higher order effects
20. Gauge-dependent ket calculations of dynamical polarizabilities of small molecules. Method and application to H 2O
21. Natural orbitals in the CIPSI algorithm
22. Quantum astrochemistry : Prospects and examples
23. Direct momentum-space calculations for molecules
24. The semiempirical challenge for the calculation of molecular hyperpolarizabilities
25. Vibrational modelling in large polycyclic aromatic hydrocarbons
26. Bonding in the CuCH 4+ and FeCO + cations
27. Dipole moments and polarizabilities of some substituted pyridine-1-oxides for optoelectronics
28. Polarization functions for the calculations of polarizability and hyperpolarizability. Application to the helium atom and the hydrogen molecule
29. Eccentric orbitals for lone pairs and hybridization theory: the case of NH 3
30. Electronic structure and bonding of transition metal complexes MCO (M Ru, Os)
31. Effect of molecular environment on the vibrational dynamics of pyrimidine bases as analysed by NIS, optical spectroscopy and quantum mechanical force fields
32. Overlap revisited
33. Reply Reply to a comment on “overlap revisited”
34. On symmetry dilemmas in ab initio SCF studies of allyl radical and ethylene
35. Interplay of direct and indirect coupling contributions in proton hyperfine splitting constants of alkyl radicals
36. Le décret 2001 – 1154 relatif à l’obligation de maintenance et au contrôle qualité des dispositifs médicaux : nature et répercussions pour un centre hospitalier général
37. Proton splitting constants and hybridisation in aromatic free radicals
38. Syndrome de Miller-Fisher à IgG anti GT1a et encéphalite temporale, à propos d’un cas.
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