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Issue Date
Title
Author(s)
2019
Effect of the substituents on the nature and strength of lone pair-carbonyl interactions in acyl halides
Velasquez, Juan David; Echeverría, Jorge; Álvarez, Santiago (Álvarez Reverter)
18-Nov-2013
Dividing the Spoils: Role of Pyrazine Ligands and Perchlorate Counterions in the Magnetic Properties of Bis(pyrazine)diperchloratecopper(II), [Cu(pz)<sub>2</sub>](ClO<sub>4</sub>)<sub>2</sub>
Vela Llausí, Sergi; Jornet Somoza, Joaquim; Turnbull, Mark M.; Feyerherm, Ralf; Novoa Vide, Juan J.; Deumal i Solé, Mercè
30-Dec-2015
Comment on: Exploring the potential energy landscape of the Thomson problem via Newton homotopies
Bofill i Villà, Josep M.
Jul-2019
Marvellous molecular shapes
Álvarez, Santiago (Álvarez Reverter)
5-Feb-2016
Disclosing the Ligand- and Solvent-Induced Changes on the Spin Transition and Optical Properties of Fe(II)-Indazolylpyridine Complexes
Vela Llausí, Sergi; Gourlaouen, Cristophe; Fumanal Quintana, María; Ribas Ariño, Jordi
20-Aug-2012
Tracing the sources of the different magnetic behavior in the two phases of the bistable (BDTA)2[Co(mnt)2] compound
Vela Llausí, Sergi; Deumal i Solé, Mercè; Ribas Ariño, Jordi; Novoa Vide, Juan J.
7-Feb-2017
Testing the effectiveness of the isoelectronic substitution principle through the transformation of aromatic osmathiophene derivatives into their inorganic analogues
Vásquez Espinal, Alejandro; Poater i Teixidor, Jordi; Solà, Miquel; Tiznado, Willian; Islas, Rafael
4-Aug-2016
Exploring the validity of the Glidewell-Lloyd extension of Clar's pi-sextet rule: assessment from polycyclic conjugated hydrocarbons
El Bakouri, Ouissam; Poater i Teixidor, Jordi; Feixas, Ferran; Solà, Miquel
Jun-2017
Assessing the ability of DFT methods to describe static electron correlation effects: CO core level binding energies as a representative case
Pueyo Bellafont, Noèlia; Bagus, Paul S.; Sousa Romero, Carmen; Illas i Riera, Francesc
1-May-2015
Kondo Effect in a Neutral and Stable All Organic Radical Single Molecule Break Junction
Frisenda, Riccardo; Gaudenzi, Rocco; Franco, Carlos; Mas Torrent, Marta; Rovira i Angulo, Concepció; Veciana, Jaume; Alcón Rovira, Isaac; Bromley, Stefan Thomas; Burzurí, Enrique; van der Zant, Herre S. J.
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Author
15
Alemany i Cahner, Pere
15
Bofill i Villà, Josep M.
11
Quapp, Wolfgang
8
Canadell, Enric, 1950-
7
Illas i Riera, Francesc
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Subject
13
Physical and theoretical chemistry
13
Química física
11
Electronic structure
11
Estructura electrònica
6
Chemical reactions
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Date issued
16
2019
13
2018
8
2017
10
2016
5
2015
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