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Physical Chemistry Chemical Physics : PCCP|July 30, 2025
A thermodynamic assessment of the decomposition and rehydrogenation of o1-Ba(BH<sub>4</sub>)<sub>2</sub> based on DFT calculations and correlation functionsKonrad Burkmann, Markus Mehlhorn, Angus Demmer, et al.Dalton Transactions (Cambridge, England : 2003)|October 13, 2012
An interplay between the spin density distribution and magnetic superexchange interactions: a case study of mononuclear [(n)Bu4N]2[Cu(opooMe)] and novel asymmetric trinuclear [Cu3(opooMe)(pmdta)2](NO3)2·3MeCNMohammad A Abdulmalic, Azar Aliabadi, Andreas Petr, et al.Dalton Transactions (Cambridge, England : 2003)|April 14, 2010
Novel Cr(III) dinuclear complexes supported by salicyloylhydrazono dithiolane and dithiane ligands: synthesis, stability, crystal structures and magnetic propertiesNicolas Clément, Clément Toussaint, Guillaume Rogez, et al.Journal of Computational Chemistry|September 11, 2019
Interpretation and Automatic Generation of Fermi-Orbital DescriptorsSebastian Schwalbe, Kai Trepte, Lenz Fiedler, et al.Dalton Transactions (Cambridge, England : 2003)|May 22, 2019
Indium thiospinel In<sub>1-x</sub>□<sub>x</sub>In<sub>2</sub>S<sub>4</sub>- structural characterization and thermoelectric propertiesPaweł Wyżga, Igor Veremchuk, Cameliu Himcinschi, et al.Dalton Transactions (Cambridge, England : 2003)|March 8, 2017
Ni<sup>II</sup> formate complexes with bi- and tridentate nitrogen-donor ligands: synthesis, characterization, and magnetic and thermal propertiesKaroline Rühlig, Akerke Abylaikhan, Azar Aliabadi, et al.Journal of the American Chemical Society|April 14, 2005
Studies of an enneanuclear manganese single-molecule magnetStergios Piligkos, Gopalan Rajaraman, Monica Soler, et al.Journal of Computational Chemistry|December 28, 2018
Analytic atomic gradients in the fermi-löwdin orbital self-interaction correctionKai Trepte, Sebastian Schwalbe, Torsten Hahn, et al.Dalton Transactions (Cambridge, England : 2003)|August 8, 2009
High pressure induced spin changes and magneto-structural correlations in hexametallic SMMsAlessandro Prescimone, Constantinos J Milios, Javier Sanchez-Benitez, et al.Dalton Transactions (Cambridge, England : 2003)|April 3, 2015
Magnetic superexchange interactions: trinuclear bis(oxamidato) versus bis(oxamato) type complexesMohammad A Abdulmalic, Azar Aliabadi, Andreas Petr, et al.Pageof 5