Développement du Centre ISCF

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