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“, ChemPhysChem, vol.8, iss.14, p.2119-2124, (2007) . DOI: 10.1002/cphc.200700335
154. 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 B12N12 Fullerenes“, Journal of Physical Chemistry C, vol.111, iss.36, p.13354-13360, (2007) . DOI: 10.1021/jp073773j
153. 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“, Journal of Chemical Theory and Computation, vol.3, iss.5, p.1830-1836, (2007) . DOI: 10.1021/ct700027n
152. 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“, Journal of Inorganic Biochemistry, vol.101, iss.9, p.1192-1200, (2007) . DOI: 10.1016/j.jinorgbio.2007.06.010
151. J. Wang, Y. Wang, S. Lv, J. M. Ugalde, “Electron correlation in the GK state of the hydrogen molecule“, The Journal of Chemical Physics, vol.127, iss.7, p.074307, (2007) . DOI: 10.1063/1.2768531
150. E. Rezabal, T. Marino, J. M. Mercero, N. Russo, J. M. Ugalde, “Complexation of AlIII by Aromatic Amino Acids in the Gas Phase“, Inorganic Chemistry, vol.46, iss.16, p.6413-6419, (2007) . DOI: 10.1021/ic7004776
149. M. Piris, X. Lopez, J. M. Ugalde, “Dispersion interactions within the Piris natural orbital functional theory: The helium dimer“, The Journal of Chemical Physics, vol.126, iss.21, p.214103, (2007) . DOI: 10.1063/1.2743019
148. J. M. Matxain, L. A. Eriksson, E. Formoso, M. Piris, J. M. Ugalde, “Endohedral (X@ZniSi)i=4-160,±, Nanoclusters, X = Li, Na, K, Cl, Br“, Journal of Physical Chemistry C, vol.111, iss.9, p.3560-3565, (2007) . DOI: 10.1021/jp0668697
147. L. A. Eriksson, N. Russo, J. M. Ugalde, “Second International Theoretical Biophysics Symposium, Örebro University, Sweden, June 28-July 1, 2005“, International Journal of Quantum Chemistry, vol.107, iss.2, p.259-260, (2007) . DOI: 10.1002/qua.21186
146. J. Wang, L. Zhang, Y. Wang, J. M. Ugalde, “Electron correlation in the 3 1Σg+ and 2 1Σu+ excited state lithium molecule“, The Journal of Chemical Physics, vol.125, iss.23, p.234102, (2006) . DOI: 10.1063/1.2404665
145. J. Wang, J. M. Mercero, I Silanes, J. M. Ugalde, “Counterintuitive effects of the electron correlation in the first-excited 1Σ+g state of the hydrogen molecule“, Europhysics Letters, vol.76, iss.5, p.808-814, (2006) . DOI: 10.1209/epl/i2006-10335-x
144. 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“, The Journal of Physical Chemistry A, vol.110, iss.45, p.12501-12511, (2006) . DOI: 10.1021/jp064611a
143. X. Lopez, J. M. Ugalde, L. Echevarría, E. Ludeña, “Exact non-Born-Oppenheimer wave functions for three-particle Hookean systems with arbitrary masses“, Physical Review A, vol.74, iss.4, p.042504, (2006) . DOI: 10.1103/PhysRevA.74.042504
142. I. Silanes, J. M. Mercero, J. M. Ugalde, “Comparison of Ti, Zr, and Hf as Cations for Metallocene-Catalyzed Olefin Polymerization“, Organometallics, vol.25, iss.19, p.4483-4490, (2006) . DOI: 10.1021/om050790r
141. J. M. Matxain, L. A. Eriksson, J. M. Mercero, J. M. Ugalde, E. Spano, S. Hamad, C R. A Catlow, “Electronic excitation energies of ZniSi nanoparticles“, Nanotechnology, vol.17, iss.16, p.4100-4105, (2006) . DOI: 10.1088/0957-4484/17/16/018
140. J. M. Mercero, E. Formoso, J. M. Matxain, L. A. Eriksson, J. M. Ugalde, “Sandwich Complexes Based on the All-Metal Al4-2 Aromatic Ring“, Chemistry – A European Journal, vol.12, iss.17, p.4495-4502, (2006) . DOI: 10.1002/chem.200600106
139. X. Lopez, J. M. Ugalde, E. V. Ludeña, “Exact non-Born-Oppenheimer wave function for the Hooke-Calogero model of the H2 molecule“, The European Physical Journal D, vol.37, iss.3, p.351-359, (2006) . DOI: 10.1140/epjd/e2006-00024-4
138. 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“, Journal of Inorganic Biochemistry, vol.100, iss.3, p.374-384, (2006) . DOI: 10.1016/j.jinorgbio.2005.12.007
137. X. Lopez, J. M. Ugalde, E. V. Ludeña, “Extracular densities of the non-Born-Oppenheimer Hookean H2 molecule“, Chemical Physics Letters, vol.412, iss.4-6, p.381-385, (2005) . DOI: 10.1016/j.cplett.2005.07.015
136. 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-π Interactions: Multiple-Decker Sandwich Complexes of Ferrocene with Alkali Metal Ions (Li+, Na+, K+, Rb+, Cs+)“, Journal of the American Chemical Society, vol.127, iss.30, p.10656-10666, (2005) . DOI: 10.1021/ja051544%2B
135. E. V. Ludena, X. Lopez, J. M. Ugalde, “Non-BornOppenheimer treatment of the H2 Hookean molecule“, The Journal of Chemical Physics, vol.123, iss.2, p.024102, (2005) . DOI: 10.1063/1.1940611
134. I. Silanes, J. M. Ugalde, “Comparative Study of Various Mechanisms for Metallocene-Catalyzed α-Olefin Polymerization“, Organometallics, vol.24, iss.13, p.3233-3246, (2005) . DOI: 10.1021/om0503139
133. E. G. Valderrama, J. M. Ugalde, “Electron correlation studies by means of local-scaling transformations and electron-pair density functions“, Journal of Mathematical Chemistry, vol.37, iss.3, p.211-231, (2005) . DOI: 10.1007/s10910-004-1465-5
132. S. Hamad, C. R. A. Catlow, E. Spano, J. M. Matxain, J. M. Ugalde, “Structure and Properties of ZnS Nanoclusters“, The Journal of Physical Chemistry B, vol.109, iss.7, p.2703-2709, (2005) . DOI: 10.1021/jp0465940
131. 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“, International Journal of Mass Spectrometry, vol.240, iss.1, p.37-99, (2005) . DOI: 10.1016/j.ijms.2004.09.018
