{"id":462,"date":"2010-07-12T23:42:17","date_gmt":"2010-07-12T21:42:17","guid":{"rendered":"http:\/\/www.ehu.es\/chemistry\/theory\/wordpress\/?p=462"},"modified":"2022-02-09T09:59:50","modified_gmt":"2022-02-09T08:59:50","slug":"2005-2007","status":"publish","type":"post","link":"https:\/\/www.ehu.eus\/chemistry\/theory\/3_publications\/2005-2007\/","title":{"rendered":"2005-2007"},"content":{"rendered":"

156<\/strong>. J. M. Matxain, M. Piris, E. Formoso, J. M. Mercero, X. Lopez, J. M. Ugalde, “Endohedral Stannaspherenes Mn@Sn12<\/sub> and its Dimer: Ferromagnetic or Antiferromagnetic?<\/em>“, ChemPhysChem, vol.8, iss.14, p.2096-2099, (2007) . DOI: 10.1002\/cphc.200700428<\/a><\/p>\n

155<\/strong>. E. Rezabal, J. M. Mercero, X. Lopez, J. M. Ugalde, “Protein Side Chains Facilitate Mg\/Al Exchange in Model Protein Binding Sites<\/em>“, ChemPhysChem, vol.8, iss.14, p.2119-2124, (2007) . DOI: 10.1002\/cphc.200700335<\/a><\/p>\n

154<\/strong>. J.M. Matxain, L.A. Eriksson, J.M. Mercero, X. Lopez, M. Piris, J.M. Ugalde, J. Poater, E. Matito, M. Sola, “New Solids Based on B12<\/sub>N12<\/sub> Fullerenes<\/em>“, Journal of Physical Chemistry C, vol.111, iss.36, p.13354-13360, (2007) . DOI: 10.1021\/jp073773j<\/a><\/p>\n

153<\/strong>. E. Rezabal, T. Marino, J. M. Mercero, N. Russo, J. M. Ugalde, “Assessment of Approximate Density Functional Methods for the Study of the Interactions of Al(III) with Aromatic Amino Acids<\/em>“, Journal of Chemical Theory and Computation, vol.3, iss.5, p.1830-1836, (2007) . DOI: 10.1021\/ct700027n<\/a><\/p>\n

152<\/strong>. E. Rezabal, J. M. Mercero, X. Lopez, J. M. Ugalde, “A theoretical study of the principles regulating the specificity for Al(III) against Mg(II) in protein cavities<\/em>“, Journal of Inorganic Biochemistry, vol.101, iss.9, p.1192-1200, (2007) . DOI: 10.1016\/j.jinorgbio.2007.06.010<\/a><\/p>\n

151<\/strong>. J. Wang, Y. Wang, S. Lv, J. M. Ugalde, “Electron correlation in the GK state of the hydrogen molecule<\/em>“, The Journal of Chemical Physics, vol.127, iss.7, p.074307, (2007) . DOI: 10.1063\/1.2768531<\/a><\/p>\n

150<\/strong>. E. Rezabal, T. Marino, J. M. Mercero, N. Russo, J. M. Ugalde, “Complexation of AlIII<\/sup> by Aromatic Amino Acids in the Gas Phase<\/em>“, Inorganic Chemistry, vol.46, iss.16, p.6413-6419, (2007) . DOI: 10.1021\/ic7004776<\/a><\/p>\n

149<\/strong>. M. Piris, X. Lopez, J. M. Ugalde, “Dispersion interactions within the Piris natural orbital functional theory: The helium dimer<\/em>“, The Journal of Chemical Physics, vol.126, iss.21, p.214103, (2007) . DOI: 10.1063\/1.2743019<\/a><\/p>\n

148<\/strong>. J. M. Matxain, L. A. Eriksson, E. Formoso, M. Piris, J. M. Ugalde, “Endohedral (X@Zni<\/sub>Si<\/sub>)i=4-16<\/sub>0,\u00b1<\/sup>, Nanoclusters, X = Li, Na, K, Cl, Br<\/em>“, Journal of Physical Chemistry C, vol.111, iss.9, p.3560-3565, (2007) . DOI: 10.1021\/jp0668697<\/a><\/p>\n

147<\/strong>. L. A. Eriksson, N. Russo, J. M. Ugalde, “Second International Theoretical Biophysics Symposium, \u00d6rebro University, Sweden, June 28-July 1, 2005<\/em>“, International Journal of Quantum Chemistry, vol.107, iss.2, p.259-260, (2007) . DOI: 10.1002\/qua.21186<\/a><\/p>\n

146<\/strong>. J. Wang, L. Zhang, Y. Wang, J. M. Ugalde, “Electron correlation in the 3 1<\/sup>\u03a3g<\/sub>+<\/sup> and 2 1<\/sup>\u03a3u<\/sub>+<\/sup> excited state lithium molecule<\/em>“, The Journal of Chemical Physics, vol.125, iss.23, p.234102, (2006) . DOI: 10.1063\/1.2404665<\/a><\/p>\n

145<\/strong>. J. Wang, J. M. Mercero, I Silanes, J. M. Ugalde, “Counterintuitive effects of the electron correlation in the first-excited 1<\/sup>\u03a3+<\/sup>g<\/sub> state of the hydrogen molecule<\/em>“, Europhysics Letters, vol.76, iss.5, p.808-814, (2006) . DOI: 10.1209\/epl\/i2006-10335-x<\/a><\/p>\n

144<\/strong>. S. Chiodo, I. Rivalta, M. C. Michelini, N. Russo, E. Sicilia, J. M. Ugalde, “Activation of Methane by the Iron Dimer Cation. A Theoretical Study<\/em>“, The Journal of Physical Chemistry A, vol.110, iss.45, p.12501-12511, (2006) . DOI: 10.1021\/jp064611a<\/a><\/p>\n

143<\/strong>. X. Lopez, J. M. Ugalde, L. Echevarr\u00eda, E. Lude\u00f1a, “Exact non-Born-Oppenheimer wave functions for three-particle Hookean systems with arbitrary masses<\/em>“, Physical Review A, vol.74, iss.4, p.042504, (2006) . DOI: 10.1103\/PhysRevA.74.042504<\/a><\/p>\n

142<\/strong>. I. Silanes, J. M. Mercero, J. M. Ugalde, “Comparison of Ti, Zr, and Hf as Cations for Metallocene-Catalyzed Olefin Polymerization<\/em>“, Organometallics, vol.25, iss.19, p.4483-4490, (2006) . DOI: 10.1021\/om050790r<\/a><\/p>\n

141<\/strong>. J. M. Matxain, L. A. Eriksson, J. M. Mercero, J. M. Ugalde, E. Spano, S. Hamad, C R. A Catlow, “Electronic excitation energies of Zni<\/sub>Si <\/sub>nanoparticles<\/em>“, Nanotechnology, vol.17, iss.16, p.4100-4105, (2006) . DOI: 10.1088\/0957-4484\/17\/16\/018<\/a><\/p>\n

140<\/strong>. J. M. Mercero, E. Formoso, J. M. Matxain, L. A. Eriksson, J. M. Ugalde, “Sandwich Complexes Based on the All-Metal Al4<\/sub>-2<\/sup> Aromatic Ring<\/em>“, Chemistry – A European Journal, vol.12, iss.17, p.4495-4502, (2006) . DOI: 10.1002\/chem.200600106<\/a><\/p>\n

139<\/strong>. X. Lopez, J. M. Ugalde, E. V. Lude\u00f1a, “Exact non-Born-Oppenheimer wave function for the Hooke-Calogero model of the H2<\/sub> molecule<\/em>“, The European Physical Journal D, vol.37, iss.3, p.351-359, (2006) . DOI: 10.1140\/epjd\/e2006-00024-4<\/a><\/p>\n

138<\/strong>. E. Rezabal, J. M. Mercero, X. Lopez, J. M. Ugalde, “A study of the coordination shell of aluminum(III) and magnesium(II) in model protein environments: Thermodynamics of the complex formation and metal exchange reactions<\/em>“, Journal of Inorganic Biochemistry, vol.100, iss.3, p.374-384, (2006) . DOI: 10.1016\/j.jinorgbio.2005.12.007<\/a><\/p>\n

137<\/strong>. X. Lopez, J. M. Ugalde, E. V. Lude\u00f1a, “Extracular densities of the non-Born-Oppenheimer Hookean H2<\/sub> molecule<\/em>“, Chemical Physics Letters, vol.412, iss.4-6, p.381-385, (2005) . DOI: 10.1016\/j.cplett.2005.07.015<\/a><\/p>\n

136<\/strong>. A. H. Ilkhechi, J. M. Mercero, I. Silanes, M. Bolte, M. Scheibitz, H. W. Lerner, J. M. Ugalde, M. Wagner, “A Joint Experimental and Theoretical Study of Cation-\u03c0 Interactions: Multiple-Decker Sandwich Complexes of Ferrocene with Alkali Metal Ions (Li+<\/sup>, Na+<\/sup>, K+<\/sup>, Rb+<\/sup>, Cs+<\/sup>)<\/em>“, Journal of the American Chemical Society, vol.127, iss.30, p.10656-10666, (2005) . DOI: 10.1021\/ja051544%2B<\/a><\/p>\n

135<\/strong>. E. V. Ludena, X. Lopez, J. M. Ugalde, “Non-BornOppenheimer treatment of the H2<\/sub> Hookean molecule<\/em>“, The Journal of Chemical Physics, vol.123, iss.2, p.024102, (2005) . DOI: 10.1063\/1.1940611<\/a><\/p>\n

134<\/strong>. I. Silanes, J. M. Ugalde, “Comparative Study of Various Mechanisms for Metallocene-Catalyzed \u03b1-Olefin Polymerization<\/em>“, Organometallics, vol.24, iss.13, p.3233-3246, (2005) . DOI: 10.1021\/om0503139<\/a><\/p>\n

133<\/strong>. E. G. Valderrama, J. M. Ugalde, “Electron correlation studies by means of local-scaling transformations and electron-pair density functions<\/em>“, Journal of Mathematical Chemistry, vol.37, iss.3, p.211-231, (2005) . DOI: 10.1007\/s10910-004-1465-5<\/a><\/p>\n

132<\/strong>. S. Hamad, C. R. A. Catlow, E. Spano, J. M. Matxain, J. M. Ugalde, “Structure and Properties of ZnS Nanoclusters<\/em>“, The Journal of Physical Chemistry B, vol.109, iss.7, p.2703-2709, (2005) . DOI: 10.1021\/jp0465940<\/a><\/p>\n

131<\/strong>. J. M. Mercero, J. M. Matxain, X. Lopez, D. M. York, A. Largo, L. A. Eriksson, J. M. Ugalde, “Theoretical Methods That Help Understanding the Structure and Reactivity of Gas Phase Ions<\/em>“, International Journal of Mass Spectrometry, vol.240, iss.1, p.37-99, (2005) . DOI: 10.1016\/j.ijms.2004.09.018<\/a><\/p>\n","protected":false},"excerpt":{"rendered":"

156. J. M. Matxain, M. Piris, E. Formoso, J. M. Mercero, X. Lopez, J. M. Ugalde, “Endohedral Stannaspherenes Mn@Sn12 and its Dimer: Ferromagnetic or Antiferromagnetic?“, ChemPhysChem, vol.8, iss.14, p.2096-2099, (2007) . DOI: 10.1002\/cphc.200700428 155. E. Rezabal, J. M. Mercero, X. Lopez, J. M. Ugalde, “Protein Side Chains Facilitate Mg\/Al Exchange in Model Protein Binding Sites“, […]<\/p>\n","protected":false},"author":1,"featured_media":0,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"_acf_changed":false,"footnotes":""},"categories":[68],"tags":[],"class_list":["post-462","post","type-post","status-publish","format-standard","hentry","category-3_publications"],"blocksy_meta":[],"acf":[],"_links":{"self":[{"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/posts\/462","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/comments?post=462"}],"version-history":[{"count":16,"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/posts\/462\/revisions"}],"predecessor-version":[{"id":15616,"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/posts\/462\/revisions\/15616"}],"wp:attachment":[{"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/media?parent=462"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/categories?post=462"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/tags?post=462"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}