Alessandro Bencini

Overview

Best Publications

• Crystal and molecular structure of and magnetic coupling in two complexes containing gadolinium(III) and copper(II) ions

  A. Bencini;C. Benelli;A. Caneschi;Richard L. Carlin

  662
  Citations

• Electron Paramagnetic Resonance of Exchange Coupled Systems

  Alessandro Bencini;Dante Gatteschi

  496
  Citations

• Crystal and molecular structure and magnetic properties of a trinuclear complex containing exchange-coupled GdCu2 species

  A. Bencini;C. Benelli;A. Caneschi;A. Dei

  279
  Citations

• Spectral-structural correlations in high-spin cobalt(II) complexes

  Lucia Banci;Alessandro Bencini;Cristiano Benelli;Dante Gatteschi

  276
  Citations

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

  Alessandro Bencini;Federico Totti;Claude A. Daul;Karel Doclo

  260
  Citations

• On the Calculation and Modeling of Magnetic Exchange Interactions in Weakly Bonded Systems: The Case of the Ferromagnetic Copper(II) μ2-Azido Bridged Complexes

  Carlo Adamo;Vincenzo Barone;Alessandro Bencini;Federico Totti

  205
  Citations

• X.alpha.-SW calculations of the electronic structure and magnetic properties of weakly coupled transition-metal clusters. The [Cu2Cl6]2- dimers.

  Alessandro. Bencini;Dante. Gatteschi

  164
  Citations

• Syntheses, crystal structures, and magnetic properties of [Ln(III)2(Succinate)3(H2O)2].0.5H2O [Ln = Pr, Nd, Sm, Eu, Gd, and Dy] polymeric networks: unusual ferromagnetic coupling in Gd derivative.

  Subal Chandra Manna;Ennio Zangrando;Alessandro Bencini;Cristiano Benelli

  157
  Citations

• Single-crystal ESR spectra of copper(II) complexes with geometries intermediate between a square pyramid and a trigonal bipyramid

  Alessandro Bencini;Ivano Bertini;Dante Gatteschi;Andrea Scozzafava

  155
  Citations

• Density functional studies on the exchange interaction of a dinuclear Gd(III)–Cu(II) complex: method assessment, magnetic coupling mechanism and magneto-structural correlations

  Gopalan Rajaraman;Federico Totti;Alessandro Bencini;Andrea Caneschi

  154
  Citations

• Electron spin resonance spectra and spin-Hamiltonian parameters for trigonal-bipyramidal nickel(I) and copper(II) complexes

  Rolando. Barbucci;Alessandro. Bencini;Dante. Gatteschi

  130
  Citations

• CO2 Fixation by Novel Copper(II) and Zinc(II) Macrocyclic Complexes. A Solution and Solid State Study

  Carla Bazzicalupi;Alessandro Bencini;Andrea Bencini;Antonio Bianchi

  127
  Citations

• Assessment of a Combined QM/MM Approach for the Study of Large Nitroxide Systems in Vacuo and in Condensed Phases

  Vincenzo Barone;A Bencini;M Cossi;A Di Matteo

  124
  Citations

• Ground and Excited State Properties and Vibronic Coupling Analysis of the Creutz−Taube Ion, [(NH3)5Ru-pyrazine-Ru(NH3)5]5+, Using DFT

  Alessandro Bencini;Ilaria Ciofini;and Claude A. Daul;Alessandro Ferretti

  121
  Citations

• A Few Comments on the Application of Density Functional Theory to the Calculation of the Magnetic Structure of Oligo-Nuclear Transition Metal Clusters.

  Alessandro Bencini;Federico Totti

  116
  Citations

• Comment on "about the calculation of exchange coupling constants using density-functional theory: The role of the self-interaction error" [J. Chem. Phys. 123, 164110 (2005)]

  C. Adamo;V. Barone;A. Bencini;R. Broer

  114
  Citations

• Synthesis and Reaction of [{HC(CMeNAr)2}Mn]2 (Ar = 2,6-iPr2C6H3): The Complex Containing Three-Coordinate Manganese(I) with a Mn−Mn Bond Exhibiting Unusual Magnetic Properties and Electronic Structure

  Jianfang Chai;Hongping Zhu;A. Claudia Stückl;Herbert W. Roesky

  108
  Citations

• Anisotropic exchange in dinuclear complexes with polyatomic bridges. 2. Crystal and molecular structure and EPR spectra of tetraphenylphosphonium bis(.mu.-pyrazolato)bis[dihydrobis(1-pyrazolyl)borato](.mu.-chloro)dicuprate(II). Magneto-structural correlations in bis(.mu.-pyrazolato)-bridged copper(II) complexes

  David Ajo;Alessandro Bencini;Fabrizio Mani

  102
  Citations

• Some considerations on the proper use of computational tools in transition metal chemistry

  Alessandro Bencini

  101
  Citations

• Exchange coupling in dinuclear copper(II) complexes with oxalato, oxamidato and oxamato ligands

  A. Bencini;C. Benelli;D. Gatteschi;C'. Zanchini

  98
  Citations