Jesús María
Ugalde Uribe-Etxebarria
Universitat de Girona
Girona, EspañaPublicaciones en colaboración con investigadores/as de Universitat de Girona (10)
2024
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Unveiling the quantum secrets of triel metal triangles: a tale of stability, aromaticity, and relativistic effects
Physical Chemistry Chemical Physics, Vol. 26, Núm. 16, pp. 12619-12627
2019
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The Coulomb Hole of the Ne Atom
ChemistryOpen, Vol. 8, Núm. 4, pp. 411-417
2018
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Electron-Pair Distribution in Chemical Bond Formation
Journal of Physical Chemistry A, Vol. 122, Núm. 7, pp. 1916-1923
2016
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The electron-pair density distribution of the 1,3πu excited states of H2
Canadian Journal of Chemistry, Vol. 94, Núm. 12, pp. 998-1001
2014
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New approximation to the third-order density. Application to the calculation of correlated multicenter indices
Journal of Chemical Theory and Computation, Vol. 10, Núm. 8, pp. 3055-3065
2012
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Performance of PNOF5 natural orbital functional for radical formation reactions: Hydrogen atom abstraction and C-C and O-O homolytic bond cleavage in selected molecules
Journal of Chemical Theory and Computation, Vol. 8, Núm. 8, pp. 2646-2652
2007
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New solids based on B12N12 fullerenes
Journal of Physical Chemistry C, Vol. 111, Núm. 36, pp. 13354-13360
2000
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Charge-density concentration and electron-electron coalescence density in atoms and molecules
Physical Review A - Atomic, Molecular, and Optical Physics, Vol. 62, Núm. 3, pp. 034502-034501
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Charge-density concentration and electron-electron coalescence density in atoms and molecules
Physical Review A - Atomic, Molecular, and Optical Physics, Vol. 62, Núm. 3, pp. 4
1999
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The topological features of the intracule density of the uniform electron gas
Chemical Physics Letters, Vol. 304, Núm. 5-6, pp. 393-398