Showing results (1-10 of 270) with videos related to
Sort By:
Pageof 27
Chemical Communications (Cambridge, England)|October 1, 2024
Promoting exchange coupling in (CpiPr)2Gd2X3 complexesGrégoire David, Boris Le Guennic, Daniel RetaThe Journal of Physical Chemistry Letters|September 25, 2024
Computation of Magnetic Exchange Couplings in Photoexcited Systems Based on KS-DFTGrégoire David, Boris Le GuennicJournal of Chemical Theory and Computation|December 8, 2022
Consistent Evaluation of Magnetic Exchange Couplings in Multicenter Compounds in KS-DFT: The Recomposition MethodGrégoire David, Nicolas Ferré, Boris Le GuennicPhysical Chemistry Chemical Physics : PCCP|March 4, 2024
What governs magnetic exchange couplings in radical-bridged dinuclear complexes?Grégoire David, Gwenhaël Duplaix-Rata, Boris Le GuennicPhysical Chemistry Chemical Physics : PCCP|May 10, 2023
Revisiting magnetic exchange couplings in heterodinuclear complexes through the decomposition method in KS-DFTGwenhaël Duplaix-Rata, Boris Le Guennic, Grégoire DavidInorganic Chemistry|May 28, 2026
Magneto-Optical Correlations and Optical Signatures of Low-Coordinated and Highly Symmetrical Tb(III) ComplexesNimisha Jain, Grégoire David, Marie Cordier, et al.Accounts of Chemical Research|February 25, 2015
Taking up the cyanine challenge with quantum toolsBoris Le Guennic, Denis JacqueminPhysical Chemistry Chemical Physics : PCCP|February 13, 2024
Ab initio investigations of circularly polarised luminescence in Samarium(III)-based complexesMaxime Grasser, Boris Le GuennicChemistry (Weinheim an Der Bergstrasse, Germany)|May 18, 2004
Solvent effects on 195Pt and 205Tl NMR chemical shifts of the complexes [(NC)5Pt--Tl(CN)n]n- (n=0-3), and [(NC)5Pt--Tl--Pt(CN)5]3- studied by relativistic density functional theoryJochen Autschbach, Boris Le GuennicJournal of the American Chemical Society|October 30, 2003
A theoretical study of the NMR spin-spin coupling constants of the complexes [(NC)(5)Pt-Tl(CN)(n)](n-) (n = 0-3) and [(NC)(5)Pt-Tl-Pt(CN)(5)](3-): a lesson on environmental effectsJochen Autschbach, Boris Le GuennicPageof 27