Journal ArticleDOI
Crystal structures, theoretical calculations, spectroscopic and electrochemical properties of Cr(III) complexes with dipicolinic acid and 1,10-phenantroline
TLDR
The crystal structures of Na[Cr(dipic)2]· 2H2O (1) and [Cr(Dipic)(phen)Cl]· 1/2H 2O (2), dipic=dipicolinate, phen = 1,10-phenantroline, were determined.About:
This article is published in Polyhedron.The article was published on 2008-02-06. It has received 47 citations till now. The article focuses on the topics: Ligand & Carboxylate.read more
Citations
More filters
Journal ArticleDOI
Metal-organic magnets with large coercivity and ordering temperatures up to 242°C
Panagiota S. Perlepe,Itziar Oyarzabal,Itziar Oyarzabal,Aaron Mailman,Morgane Yquel,M.S. Platunov,Iurii Dovgaliuk,Mathieu Rouzières,Philippe Négrier,Denise Mondieig,Elizaveta A. Suturina,Marie-Anne Dourges,Sébastien Bonhommeau,Rebecca A. Musgrave,Kasper S. Pedersen,Kasper S. Pedersen,Dmitry Chernyshov,Fabrice Wilhelm,Andrei Rogalev,Corine Mathonière,Rodolphe Clérac +20 more
TL;DR: It is reported that chemical reduction of a low-density chromium-pyrazine network produces a magnet that remains stable above 200°C and resists demagnetization with 7500-oersted coercivity at room temperature.
Journal ArticleDOI
Gold nanoparticles having dipicolinic acid imprinted nanoshell for Bacillus cereus spores recognition
TL;DR: In this article, a thiol ligand-capping method with polymerizable methacryloylamidocysteine (MAC) attached to gold nanoparticles, reminiscent of a self-assembled monolayer, was proposed.
Journal ArticleDOI
Adsorption of picloram herbicide on iron oxide pillared montmorillonite
Jose L. Marco-Brown,C. Martín Barbosa-Lema,Rosa Maria Torres Sanchez,Roberto C. Mercader,María dos Santos Afonso +4 more
TL;DR: In this article, the adsorption of picloram on Fe Oxide Pillared Clays (PILC) was studied at constant pH and ionic strength after 48h equilibration with an aqueous solution of PCM.
Journal ArticleDOI
Gold-silver nanoclusters having dipicolinic acid imprinted nanoshell for Bacillus cereus spores recognition.
TL;DR: A novel thiol ligand-capping method with polymerizable methacryloylamidocysteine (MAC) attached to gold-silver nanoclusters, reminiscent of a self-assembled monolayer and have reconstructed surface shell by synthetic host polymers based on molecular imprinting method for recognition.
Journal ArticleDOI
A unique example of a co-crystal of [Ag(atr)2][Cr(dipic)2] (dipic = dipicolinate; atr = 3-amino-1H-1,2,4-triazole) and dinuclear [Cr(H2O)(dipic)(μ-OH)]2, with different coordination environment of Cr(III) ions
TL;DR: In this paper, a neutral aqueous solution of dipicolinic acid (dipicH2), 3-amino-1H-1,2,4-triazole (atr) and CrCl3·6H2O in the presence of AgNO3 under hydrothermal condition led to the formation of a co-crystal of {[Ag(atr]2][Cr(dipsic)2]}2·[Cr(H 2O))(μ-OH)]2·4H2
References
More filters
Journal ArticleDOI
Generalized Gradient Approximation Made Simple
TL;DR: A simple derivation of a simple GGA is presented, in which all parameters (other than those in LSD) are fundamental constants, and only general features of the detailed construction underlying the Perdew-Wang 1991 (PW91) GGA are invoked.
Journal ArticleDOI
Density‐functional thermochemistry. III. The role of exact exchange
TL;DR: In this article, a semi-empirical exchange correlation functional with local spin density, gradient, and exact exchange terms was proposed. But this functional performed significantly better than previous functionals with gradient corrections only, and fits experimental atomization energies with an impressively small average absolute deviation of 2.4 kcal/mol.
Journal ArticleDOI
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
TL;DR: Numerical calculations on a number of atoms, positive ions, and molecules, of both open- and closed-shell type, show that density-functional formulas for the correlation energy and correlation potential give correlation energies within a few percent.
Journal ArticleDOI
Self-Consistent Equations Including Exchange and Correlation Effects
Walter Kohn,L. J. Sham +1 more
TL;DR: In this paper, the Hartree and Hartree-Fock equations are applied to a uniform electron gas, where the exchange and correlation portions of the chemical potential of the gas are used as additional effective potentials.
Journal ArticleDOI
Inhomogeneous Electron Gas
P. C. Hohenberg,Walter Kohn +1 more
TL;DR: In this article, the ground state of an interacting electron gas in an external potential was investigated and it was proved that there exists a universal functional of the density, called F[n(mathrm{r})], independent of the potential of the electron gas.