Antonio Rodriguez Fortea
Antonio Rodriguez Fortea
Associate Professor of Physical Chemistry
Verified email at urv.cat
TitleCited byYear
Assessing the accuracy of metadynamics
A Laio, A Rodriguez-Fortea, FL Gervasio, M Ceccarelli, M Parrinello
The journal of physical chemistry B 109 (14), 6714-6721, 2005
4782005
About the calculation of exchange coupling constants in polynuclear transition metal complexes
E Ruiz, A Rodríguez‐Fortea, J Cano, S Alvarez, P Alemany
Journal of computational chemistry 24 (8), 982-989, 2003
4382003
Exchange Coupling in Carboxylato‐Bridged Dinuclear Copper(II) Compounds: A Density Functional Study
A Rodríguez‐Fortea, P Alemany, S Alvarez, E Ruiz
Chemistry–A European Journal 7 (3), 627-637, 2001
2982001
Endohedral metallofullerenes: a unique host–guest association
A Rodríguez-Fortea, AL Balch, JM Poblet
Chemical Society Reviews 40 (7), 3551-3563, 2011
2872011
Exchange coupling of transition-metal ions through hydrogen bonding: A theoretical investigation
C Desplanches, E Ruiz, A Rodríguez-Fortea, S Alvarez
Journal of the American Chemical Society 124 (18), 5197-5205, 2002
1992002
The maximum pentagon separation rule provides a guideline for the structures of endohedral metallofullerenes
A Rodríguez-Fortea, N Alegret, AL Balch, JM Poblet
Nature chemistry 2 (11), 955, 2010
1432010
Is It Possible To Get High TC Magnets with Prussian Blue Analogues? A Theoretical Prospect
E Ruiz, A Rodríguez‐Fortea, S Alvarez, M Verdaguer
Chemistry–A European Journal 11 (7), 2135-2144, 2005
1372005
The Smallest Stable Fullerene, M@C28 (M = Ti, Zr, U): Stabilization and Growth from Carbon Vapor
PW Dunk, NK Kaiser, M Mulet-Gas, A Rodríguez-Fortea, JM Poblet, ...
Journal of the American Chemical Society 134 (22), 9380-9389, 2012
1182012
“Open Rather than Closed” Malonate Methano-Fullerene Derivatives. The Formation of Methanofulleroid Adducts of Y3N@C80
O Lukoyanova, CM Cardona, J Rivera, LZ Lugo-Morales, CJ Chancellor, ...
Journal of the American Chemical Society 129 (34), 10423-10430, 2007
1132007
Exchange coupling in halo-bridged dinuclear Cu (II) compounds: A density functional study
A Rodríguez-Fortea, P Alemany, S Alvarez, E Ruiz
Inorganic chemistry 41 (14), 3769-3778, 2002
1122002
The Shape of the Sc2 (μ2-S) Unit Trapped in C82: Crystallographic, Computational, and Electrochemical Studies of the Isomers, Sc2 (μ2-S)@ C s (6)-C82 and Sc2 (μ2-S)@ C 3 v (8)-C82
BQ Mercado, N Chen, A Rodríguez-Fortea, MA Mackey, S Stevenson, ...
Journal of the American Chemical Society 133 (17), 6752-6760, 2011
1062011
Metal Nitride Cluster Fullerene M3N@C80 (M=Y, Sc) Based Dyads: Synthesis, and Electrochemical, Theoretical and Photophysical Studies
JR Pinzón, CM Cardona, MÁ Herranz, ME Plonska‐Brzezinska, A Palkar, ...
Chemistry–A European Journal 15 (4), 864-877, 2009
1062009
Synthesis of a new endohedral fullerene family, Sc 2 S@ C 2n (n= 40–50) by the introduction of SO 2
N Chen, MN Chaur, C Moore, JR Pinzón, R Valencia, A Rodríguez-Fortea, ...
Chemical Communications 46 (26), 4818-4820, 2010
1032010
Exchange coupling in transition-metal complexes via density-functional theory: Comparison and reliability of different basis set approaches
E Ruiz, A Rodríguez-Fortea, J Tercero, T Cauchy, C Massobrio
The Journal of chemical physics 123 (7), 074102, 2005
1022005
Sc2S@Cs(10528)-C72: A Dimetallic Sulfide Endohedral Fullerene with a Non Isolated Pentagon Rule Cage
N Chen, CM Beavers, M Mulet-Gas, A Rodríguez-Fortea, EJ Munoz, YY Li, ...
Journal of the American Chemical Society 134 (18), 7851-7860, 2012
1012012
Sc22-O) Trapped in a Fullerene Cage: The Isolation and Structural Characterization of Sc22-O)@Cs(6)-C82 and the Relevance of the Thermal and …
BQ Mercado, MA Stuart, MA Mackey, JE Pickens, BS Confait, ...
Journal of the American Chemical Society 132 (34), 12098-12105, 2010
1012010
Density functional study of magnetostructural correlations in cubane complexes containing the Cu 4 O 4 core
J Tercero, E Ruiz, S Alvarez, A Rodríguez-Fortea, P Alemany
Journal of Materials Chemistry 16 (26), 2729-2735, 2006
942006
Understanding the Stabilization of Metal Carbide Endohedral Fullerenes M2C2@C82 and Related Systems
R Valencia, A Rodríguez-Fortea, JM Poblet
The Journal of Physical Chemistry A 112 (20), 4550-4555, 2008
892008
Electronic Structure and Redox Properties of Metal Nitride Endohedral Fullerenes M3N@C2n (M=Sc, Y, La, and Gd; 2n=80, 84, 88, 92, 96)
R Valencia, A Rodríguez‐Fortea, A Clotet, C de Graaf, MN Chaur, ...
Chemistry–A European Journal 15 (41), 10997-11009, 2009
862009
Trimetallic Nitride Endohedral Fullerenes: Experimental and Theoretical Evidence for the M3N6+@C2n6− model
MN Chaur, R Valencia, A Rodríguez‐Fortea, JM Poblet, L Echegoyen
Angewandte Chemie International Edition 48 (8), 1425-1428, 2009
822009
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