ELOY
RAMOS CORDOBA
Investigador/a en el periodo 2016-2023
Universitat de Girona
Girona, EspañaPublicaciones en colaboración con investigadoras/es de Universitat de Girona (21)
2024
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APOST-3D: Chemical concepts from wavefunction analysis
Journal of Chemical Physics, Vol. 160, Núm. 17
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Spurious Oscillations Caused by Density Functional Approximations: Who is to Blame? Exchange or Correlation?
Journal of Chemical Theory and Computation, Vol. 20, Núm. 8, pp. 3144-3153
2022
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How Reliable Are Modern Density Functional Approximations to Simulate Vibrational Spectroscopies?
The journal of physical chemistry letters, Vol. 13, Núm. 25, pp. 5963-5968
2021
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How Many Electrons Does a Molecular Electride Hold?
Journal of Physical Chemistry A, Vol. 125, Núm. 22, pp. 4819-4835
2019
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Nine questions on energy decomposition analysis
Journal of Computational Chemistry, Vol. 40, Núm. 26, pp. 2248-2283
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Singling Out Dynamic and Nondynamic Correlation
Journal of Physical Chemistry Letters, Vol. 10, Núm. 14, pp. 4032-4037
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The Coulomb Hole of the Ne Atom
ChemistryOpen, Vol. 8, Núm. 4, pp. 411-417
2017
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Comprehensive benchmarking of density matrix functional approximations
Physical Chemistry Chemical Physics, Vol. 19, Núm. 35, pp. 24029-24041
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Electron correlation effects in third-order densities
Physical Chemistry Chemical Physics, Vol. 19, Núm. 6, pp. 4522-4529
2016
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Bonding description of the Harpoon mechanism
Molecular Physics, Vol. 114, Núm. 7-8, pp. 1345-1355
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Separation of dynamic and nondynamic correlation
Physical Chemistry Chemical Physics, Vol. 18, Núm. 34, pp. 24015-24023
2015
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Oxidation states from wave function analysis
Journal of Chemical Theory and Computation, Vol. 11, Núm. 4, pp. 1501-1508
2014
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Characterization and quantification of polyradical character
Journal of Chemical Theory and Computation, Vol. 10, Núm. 2, pp. 634-641
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Diradical character from the local spin analysis
Physical Chemistry Chemical Physics, Vol. 16, Núm. 20, pp. 9565-9571
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Two new constraints for the cumulant matrix
Journal of Chemical Physics, Vol. 141, Núm. 23
2013
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Bonding quandary in the [Cu3S2]3+ core: Insights from the analysis of domain averaged fermi holes and the local spin
Journal of Physical Chemistry A, Vol. 117, Núm. 9, pp. 1975-1982
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Communication: An approximation to Bader's topological atom
Journal of Chemical Physics, Vol. 139, Núm. 7
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Local spin analysis and chemical bonding
Chemistry - A European Journal, Vol. 19, Núm. 45, pp. 15267-15275
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The atomic orbitals of the topological atom
Journal of Chemical Physics, Vol. 138, Núm. 21
2012
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Local spins: Improved Hilbert-space analysis
Physical Chemistry Chemical Physics, Vol. 14, Núm. 44, pp. 15291-15298