Antonio Rodríguez-Fortea

Overview

Best Publications

• Assessing the accuracy of metadynamics.

  Alessandro Laio;Antonio Rodriguez-Fortea;Francesco Luigi Gervasio;Matteo Ceccarelli

  636
  Citations

• About the calculation of exchange coupling constants in polynuclear transition metal complexes.

  Eliseo Ruiz;Antonio Rodríguez-Fortea;Joan Cano;Santiago Alvarez

  537
  Citations

• Endohedral metallofullerenes: a unique host–guest association

  Antonio Rodríguez-Fortea;Alan L. Balch;Josep M. Poblet

  409
  Citations

• Exchange Coupling in Carboxylato‐Bridged Dinuclear Copper(II) Compounds: A Density Functional Study

  Antonio Rodríguez-Fortea;Pere Alemany;Santiago Alvarez;Eliseo Ruiz

  346
  Citations

• Exchange coupling of transition-metal ions through hydrogen bonding: a theoretical investigation.

  Cédric Desplanches;Eliseo Ruiz;and Antonio Rodríguez-Fortea;Santiago Alvarez

  243
  Citations

• The Smallest Stable Fullerene, M@C28 (M = Ti, Zr, U): Stabilization and Growth from Carbon Vapor

  Paul W. Dunk;Nathan K. Kaiser;Marc Mulet-Gas;Antonio Rodríguez-Fortea

  203
  Citations

• The maximum pentagon separation rule provides a guideline for the structures of endohedral metallofullerenes

  Antonio Rodríguez-Fortea;Núria Alegret;Alan L. Balch;Josep M. Poblet

  171
  Citations

• Is It Possible To Get High TC Magnets with Prussian Blue Analogues? A Theoretical Prospect

  Eliseo Ruiz;Antonio Rodríguez-Fortea;Santiago Alvarez;Michel Verdaguer;Michel Verdaguer

  162
  Citations

• The Shape of the Sc2(μ2-S) Unit Trapped in C82: Crystallographic, Computational, and Electrochemical Studies of the Isomers, Sc2(μ2-S)@Cs(6)-C82 and Sc2(μ2-S)@C3v(8)-C82

  Brandon Q. Mercado;Ning Chen;Antonio Rodríguez-Fortea;Mary A. Mackey

  161
  Citations

• Sc2(μ2-O) Trapped in a Fullerene Cage: The Isolation and Structural Characterization of Sc2(μ2-O)@Cs(6)-C82 and the Relevance of the Thermal and Entropic Effects in Fullerene Isomer Selection

  Brandon Q. Mercado;Melissa A. Stuart;Mary A. Mackey;Jane E. Pickens

  158
  Citations

• Density functional study of magnetostructural correlations in cubane complexes containing the Cu4O4 core

  Javier Tercero;Eliseo Ruiz;Santiago Alvarez;Antonio Rodríguez-Fortea

  158
  Citations

• "Open rather than closed" malonate methano-fullerene derivatives. The formation of methanofulleroid adducts of Y3N@C80.

  Olena Lukoyanova;Claudia M. Cardona;José Rivera;† Leyda Z. Lugo-Morales

  143
  Citations

• Exchange coupling in halo-bridged dinuclear Cu(II) compounds: a density functional study.

  Antonio Rodríguez-Fortea;Pere Alemany;Santiago Alvarez;Eliseo Ruiz

  140
  Citations

• Sc2S@C(s)(10528)-C72: a dimetallic sulfide endohedral fullerene with a non isolated pentagon rule cage.

  Ning Chen;Christine M. Beavers;Marc Mulet-Gas;Antonio Rodríguez-Fortea

  138
  Citations

• Density functional study of the exchange coupling in distorted cubane complexes containing the Cu4O4 core

  Eliseo Ruiz;Antonio Rodrı́guez-Fortea;Pere Alemany;Santiago Alvarez

  133
  Citations

• Synthesis of a new endohedral fullerene family, Sc2S@C2n (n = 40-50) by the introduction of SO2.

  Ning Chen;Manuel N. Chaur;Cheryl Moore;Julio R. Pinzón

  133
  Citations

• Metal Nitride Cluster Fullerene M3N@C80 (M=Y, Sc) Based Dyads: Synthesis, and Electrochemical, Theoretical and Photophysical Studies

  Julio R. Pinzón;Claudia M. Cardona;Claudia M. Cardona;Maria Ángeles Herranz;Marta E. Plonska-Brzezinska;Marta E. Plonska-Brzezinska

  121
  Citations

• U2@Ih(7)-C80: Crystallographic Characterization of a Long-Sought Dimetallic Actinide Endohedral Fullerene

  Xingxing Zhang;Yaofeng Wang;Roser Morales-Martínez;Jun Zhong

  117
  Citations

• Electronic Structure and Redox Properties of Metal Nitride Endohedral Fullerenes M3N@C2n (M=Sc, Y, La, and Gd; 2n=80, 84, 88, 92, 96)

  Ramón Valencia;Antonio Rodríguez-Fortea;Anna Clotet;Coen de Graaf;Coen de Graaf

  115
  Citations

• Exchange coupling in transition-metal complexes via density-functional theory: comparison and reliability of different basis set approaches.

  Eliseo Ruiz;Antonio Rodríguez-Fortea;Javier Tercero;Thomas Cauchy

  115
  Citations

• Trimetallic nitride endohedral fullerenes: experimental and theoretical evidence for the M3N6+@C2n6- model.

  Manuel N. Chaur;Ramón Valencia;Antonio Rodríguez‐Fortea;Josep M. Poblet

  111
  Citations