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Antonio Rodríguez-Fortea
Researcher at Rovira i Virgili University
Publications - 145
Citations - 6152
Antonio Rodríguez-Fortea is an academic researcher from Rovira i Virgili University. The author has contributed to research in topics: Fullerene & Endohedral fullerene. The author has an hindex of 41, co-authored 138 publications receiving 5490 citations. Previous affiliations of Antonio Rodríguez-Fortea include Paul Scherrer Institute & ETH Zurich.
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About the calculation of exchange coupling constants in polynuclear transition metal complexes.
TL;DR: The application of theoretical methods based on the density functional theory with hybrid functionals provides good estimates of the exchange coupling constants for polynuclear transition metal complexes, similar to that previously obtained for dinuclear compounds.
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Assessing the accuracy of metadynamics.
Alessandro Laio,Antonio Rodríguez-Fortea,Francesco Luigi Gervasio,Matteo Ceccarelli,Michele Parrinello +4 more
TL;DR: An explicit expression for the accuracy of the methodology is derived and a way to choose the parameters of the method in order to optimize its performance is provided.
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Endohedral metallofullerenes: a unique host–guest association
TL;DR: In this tutorial review taking X-ray crystallographically characterized compounds as a starting point a walk is taken through the electronic and structural properties of endohedral metallofullerenes.
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Exchange Coupling in Carboxylato‐Bridged Dinuclear Copper(II) Compounds: A Density Functional Study
TL;DR: Coupling constants calculated for some complete structures, as determined by X-ray diffraction, are in excellent agreement with experimental data, confirming the ability of the computational strategy used in this work to predict the coupling constant for compounds for which experimental data are not yet available.
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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,Josep M. Poblet,Hisanori Shinohara,Christopher L. Hendrickson,Alan G. Marshall,Harold W. Kroto +8 more
TL;DR: High-resolution FT-ICR mass spectrometry is used to investigate formation of the smallest fullerene by use of a pulsed laser vaporization cluster source and shows that M@C(28) is formed by a bottom-up growth mechanism and is a precursor to larger metallofullerenes.