QUÍMICA TEÓRICA Y COMPUTACIONAL
QTCOVI
Universidade de Vigo
Vigo, EspañaPublicaciones en colaboración con investigadores/as de Universidade de Vigo (6)
2019
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Anti-ohmic single molecule electron transport: Is it feasible?
Nanoscale Advances, Vol. 1, Núm. 5, pp. 1901-1913
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Assessing the Reversed Exponential Decay of the Electrical Conductance in Molecular Wires: The Undeniable Effect of Static Electron Correlation
Nano Letters, Vol. 19, Núm. 10, pp. 7394-7399
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On the impact of a phosphoryl group in the recognition capabilities of 2-aminopyridines toward carboxylic acids
Theoretical Chemistry Accounts, Vol. 138, Núm. 9
2016
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How Electronic Excitation Can be Used to Inhibit Some Mechanisms Associated to Substituent Effects
ChemPhysChem, pp. 2666-2671
2015
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Revisiting the carbonyl n → π∗ electronic excitation through topological eyes: expanding, enriching and enhancing the chemical language using electron number distribution functions and domain averaged Fermi holes
Physical Chemistry Chemical Physics, Vol. 17, Núm. 39, pp. 26059-26071
2014
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Beyond the molecular orbital conception of electronically excited states through the quantum theory of atoms in molecules
Physical Chemistry Chemical Physics, Vol. 16, Núm. 20, pp. 9249-9258