Communication: The role of the positivity N-representability conditions in natural orbital functional theory von Piris, M, Matxain, J M, Lopez, X, Ugalde, J M

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Communications: Accurate description of atoms and molecules by natural orbital functional theory von Piris, M, Matxain, J M, Lopez, X, Ugalde, J M

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The natural orbital functional theory of the bonding in Cr2, Mo2 and W2 von RUIPEREZ, F, PIRIS, M, UGALDE, J. M, MATXAIN, J. M

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Homolytic molecular dissociation in natural orbital functional theory von Matxain, J. M, Piris, M, Ruipérez, F, Lopez, X, Ugalde, J. M

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The intrapair electron correlation in natural orbital functional theory von Piris, M, Matxain, J M, Lopez, X

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A computational study on the intriguing mechanisms of the gas-phase thermal activation of methane by bare [Ni(H)(OH)] von LAKUNTZA, O, MATXAIN, J. M, RUIPEREZ, F, BESORA, M, MASERAS, F, UGALDE, J. M, SCHLANGEN, M, SCHWARZ, H

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New Solids Based on B12N12 Fullerenes von Matxain, J. M, Eriksson, L. A, Mercero, J. M, Lopez, X, Piris, M, Ugalde, J. M, Poater, J, Matito, E, Solà, M

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Theoretical methods that help understanding the structure and reactivity of gas phase ions von Mercero, J.M., Matxain, J.M., Lopez, X., York, D.M., Largo, A., Eriksson, L.A., Ugalde, J.M.

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The natural orbital functional theory of the bonding in Cr 2 , Mo 2 and W 2 von Ruipérez, F., Piris, M., Ugalde, J. M., Matxain, J. M.

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A computational study on the intriguing mechanisms of the gas-phase thermal activation of methane by bare [Ni(H)(OH)]+Dedicated to Professor Ludger Wöste on the occasion of his 65t... von Lakuntza, O, Matxain, J. M, Ruipérez, F, Besora, M, Maseras, F, Ugalde, J. M, Schlangen, M, Schwarz, H

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Structure and Properties of ZnS Nanoclusters von Hamad, Said, Catlow, C. Richard A, Spanó, Eleonora, Matxain, Jon M, Ugalde, Jesus M

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Clusters of II−VI Materials:  CdiXi, X = S, Se, Te, i ≤ 16 von MATXAIN, Jon M., MERCERO, Jose M., FOWLER, Joseph E., UGALDE, Jesus M.

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Mono- and Multidecker Sandwich-Like Complexes of the Tetraazacyclobutadiene Aromatic Ring von Mercero, Jose M., Matxain, Jon M., Ugalde, Jesus M.

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Clusters of Group II−VI Materials:  CdiOi (i ≤ 15) von MATXAIN, Jon M., MERCERO, Jose M., FOWLER, Joseph E., UGALDE, Jesus M.

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The first solvation shell of aluminum (III) and magnesium (II) cations in a protein model environment von Mercero, Jose M., Matxain, Jon M., Rezabal, Elixabete, Lopez, Xabier, Ugalde, Jesus M.

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Aluminum (III) interactions with the side chains of aromatic aminoacids von Mercero, Jose M., Matxain, Jon M., Lopez, Xabier, Fowler, Joseph E., Ugalde, Jesus M.

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Theoretical Methods That Help Understanding the Structure and Reactivity of Gas Phase Ions von Mercero, J. M., Matxain, J. M., Lopez, X., York, D. M., Largo, A., Eriksson, L. A., Ugalde, J. M.

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The Wigner localization of interacting electrons in a one-dimensional harmonic potential von Telleria-Allika, Xabier, Escobar Azor, Miguel, François, Grégoire, Bendazzoli, Gian Luigi, Matxain, Jon M., Lopez, Xabier, Evangelisti, Stefano, Berger, J. Arjan

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Reprocessable and recyclable crosslinked poly(urea-urethane)s based on dynamic amine/urea exchange von Erice, Ainara, Ruiz de Luzuriaga, Alaitz, Matxain, Jon M., Ruipérez, Fernando, Asua, José M., Grande, Hans-J., Rekondo, Alaitz

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Structural and optical properties of the naked and passivated Al5Au5 bimetallic nanoclusters von Grande-Aztatzi, Rafael, Formoso, Elena, Mercero, Jose M., Matxain, Jon M., Grabowski, Slawomir J., Ugalde, Jesus M.

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