Description
statut | Fini |
---|---|
Les dates de début/date réelle | 1/01/95 → 31/12/12 |
mots-clés
- super ordinateur
Contenu associé
Résultat de recherche
On the aromatic character of 1,2-Dihydro-1,2-azaborine according to magnetic criteria
Résultats de recherche: Contribution à un journal/une revue › Article
Nonlinear optical switching behavior in the solid state: A theoretical investigation on anils
Résultats de recherche: Contribution à un journal/une revue › Article
Vibrational Raman optical activity as a mean for revealing the helicity of oligosilanes: A quantum chemical investigation
Résultats de recherche: Contribution à un journal/une revue › Article
Combined experimental-theoretical NMR study on 2,5-bis(5-aryl-3- hexylthiophen-2-yl)-thiazolo[5,4-d]thiazole derivatives for printable electronics
Résultats de recherche: Contribution à un journal/une revue › Article
Assessment of DFT exchange-correlation functionals for evaluating the multipolar contributions to the quadratic nonlinear optical responses of small reference molecules
Résultats de recherche: Contribution à un journal/une revue › Article
Functionalized dithienylthiazolo[5, 4-d]thiazoles for solution-processable organic field-effect transistors
Résultats de recherche: Contribution à un journal/une revue › Article
Theoretical investigation of raman optical activity signatures of Tröger's base
Résultats de recherche: Contribution à un journal/une revue › Article
Time-dependent density functional theory investigation of the absorption and emission spectra of a cyanine dye
Résultats de recherche: Contribution à un journal/une revue › Article
An analytical derivative procedure for the calculation of vibrational Raman optical activity spectra
Résultats de recherche: Contribution à un journal/une revue › Article
Analysis of the VROA signals of helical heptasilanes using an atomistic approach
Résultats de recherche: Contribution à un journal/une revue › Article
Density functional theory-based simulations of sum frequency generation spectra involving methyl stretching vibrations: effect of the molecular model on the deduced molecular orientation and comparison with an analytical approach
Résultats de recherche: Contribution à un journal/une revue › Article
Implementation in the Pyvib2 program of the localized mode method and application to a helicene
Résultats de recherche: Contribution à un journal/une revue › Article
Enhanced intramolecular charge transfer in new type donor-acceptor substituted perylenes
Résultats de recherche: Contribution à un journal/une revue › Article
Investigation of polyethylene helical conformations: Theoretical study by vibrational Raman optical activity
Résultats de recherche: Contribution à un journal/une revue › Article
Theoretical design of the molecular structure of bent-core mesogens with large second-order nonlinear optical properties.
Résultats de recherche: Contribution à un journal/une revue › Article
Rototranslational sum rules for electromagnetic hypershielding at the nuclei and related atomic Cartesian derivatives of the optical rotatory power
Résultats de recherche: Contribution à un journal/une revue › Article
Nonlinear optical molecular switches as selective cation sensors
Résultats de recherche: Contribution à un journal/une revue › Article
Combined experimental and theoretical study on the raman and raman optical activity signatures of pentamethylundecane diastereoisomers
Résultats de recherche: Contribution à un journal/une revue › Article
A vibrational raman optical activity study of 1, 1′ -binaphthyl derivatives
Résultats de recherche: Contribution à un journal/une revue › Article
Towards modelling the vibrational signatures of functionalized surfaces: Carboxylic acids on H-Si(111) surfaces
Résultats de recherche: Contribution à un journal/une revue › Article
Theoretical determination of the vibrational raman optical activity signatures of helical polypropylene chains
Résultats de recherche: Contribution à un journal/une revue › Article
Vibrational raman optical activity of π-conjugated helical systems: Hexahelicene and heterohelicenes
Résultats de recherche: Contribution à un journal/une revue › Article
TDHF evaluation of the dipole-quadrupole polarizability and its geometrical derivatives
Résultats de recherche: Contribution à un journal/une revue › Article