Claude Daul

发表

A comparison of ground- and excited-state properties of [Ru(bz)2]2+ and bis(6-benzene)ruthenium(II) p-toluenesulfonate using the density functional theory

Andreas Hauser, François Gilardoni, Jacques Weber, 1999, J. Comput. Chem..

Experimental study of the second-order nonlinear scattering properties of a helicene molecule

Claude Daul, Koen Clays, Kurt Wostyn, 2003, SPIE Optics + Photonics.

Calcul des multiplets de spin de l'ion Cr3+ pour des clusters (Cr06)9- à l'aide de la méthode MS-Xα.: Application à la luminescence des grenats de GA dopés au chrome

Claude Daul, K. Bellafrouh, H. Chermette, 1989 .

Radial numerical integrations based on the sinc function

Claude Daul, Valéry Weber, Richard Baltensperger, 2004, Comput. Phys. Commun..

First Principles Calculation of Electrode Material for Lithium Intercalation Batteries: TiS2 and LiTi2S4 Cubic Spinel Structures

Claude Daul, Ľubomı́r Benco, Jean-Luc Barras, 1999 .

The modelling of nucleophilic and electrophilic additions to organometallic complexes using molecular graphics techniques

Jacques Weber, Claude Daul, Pierre-Yves Morgantini, 1988, J. Comput. Aided Mol. Des..

A Density Functional Approach to the Jahn−Teller Effect of [Cu(en)3]2+ as a Model for a Macrobicyclic Cage Complex of Copper(II)

Claude Daul, Periakaruppan T. Manoharan, P. Manoharan, 1999 .

Density functional calculations of magnetic exchange interactions in polynuclear transition metal complexes

Vincenzo Barone, Claude Daul, Piercarlo Fantucci, 1997 .

DENSITY FUNCTIONAL CALCULATIONS OF OPTICAL EXCITATION ENERGIES BY A TRANSITION-STATE METHOD

Claude Daul, H. Güdel, C. Daul, 1997 .

Average Voltage, Energy Density, and Specific Energy of Lithium‐Ion Batteries Calculation Based on First Principles

Claude Daul, Alexander Wokaun, A. Wokaun, 1997 .

A Density Functional Study of the MLCT States of [Ru(bpy)3]2+ in D3 Symmetry

Claude Daul, E. J. Baerends, E. Baerends, 1994 .