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Physical Chemistry Chemical Physics : PCCP|May 19, 2012
An interpretation of the absorption and emission spectra of the gold dimer using modern theoretical toolsK R Geethalakshmi, Fernando Ruipérez, Stefan Knecht, et al.Journal of the American Chemical Society|April 22, 2004
Quantitative evaluation of the catalytic activity of dendrimers with only one active center at the core: application to the nitroaldol (Henry) reactionAizpea Zubia, Fernando P Cossío, Iñaki Morao, et al.The Journal of Physical Chemistry. B|June 15, 2006
Nucleophilic attack on phosphate diesters: a density functional study of in-line reactivity in dianionic, monoanionic, and neutral systemsXabier Lopez, Annick Dejaegere, Fabrice Leclerc, et al.Physical Chemistry Chemical Physics : PCCP|October 9, 2023
Rules governing metal coordination in Aβ-Zn(II) complex models from quantum mechanical calculationsJulen Aduriz-Arrizabalaga, Jose M Mercero, David De Sancho, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|June 30, 2006
Resonance structures of the amide bond: the advantages of planarityJon I Mujika, Jon M Matxain, Leif A Eriksson, et al.Journal of Physics. Condensed Matter : an Institute of Physics Journal|January 24, 2019
Natural orbital functional for spin-polarized periodic systemsRaul Quintero-Monsebaiz, Ion Mitxelena, Mauricio Rodríguez-Mayorga, et al.Physical Chemistry Chemical Physics : PCCP|April 10, 2024
Unveiling the quantum secrets of triel metal triangles: a tale of stability, aromaticity, and relativistic effectsSílvia Escayola, Elisa Jimenez-Izal, Eduard Matito, et al.Chemical Communications (Cambridge, England)|April 5, 2011
Unravelling phenomenon of internal rotation in B13+ through chemical bonding analysisGerardo Martínez-Guajardo, Alina P Sergeeva, Alexander I Boldyrev, et al.The Journal of Chemical Physics|March 24, 2016
Structural and optical properties of the naked and passivated Al5Au5 bimetallic nanoclustersRafael Grande-Aztatzi, Elena Formoso, Jose M Mercero, et al.Journal of Molecular Modeling|August 21, 2012
Heavy periodaneJon M Azpiroz, Diego Moreno, Alonso Ramirez-Manzanares, et al.Pageof 18