Química Cuántica
QF3
Sara
Gil Guerrero
Publications dans lesquelles il/elle collabore avec Sara Gil Guerrero (12)
2024
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Molecular Graphene Nanoribbon Junctions
Journal of the American Chemical Society, Vol. 146, Núm. 6, pp. 3963-3973
2023
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The 2-pyridone/2-hydroxypyridine tautomerism in gas phase: An excited state roaming reaction
The Journal of chemical physics, Vol. 159, Núm. 8
2021
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The effect of spin polarization on the electron transport of molecular wires with diradical character
Physical Chemistry Chemical Physics, Vol. 23, Núm. 8, pp. 4777-4783
2020
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Clar Goblet and Aromaticity Driven Multiradical Nanographenes
Chemistry - A European Journal, Vol. 26, Núm. 68, pp. 16138-16143
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Detecting Molecular Plasmons by Means of Electron Density Descriptors
Journal of Physical Chemistry C, Vol. 124, Núm. 2, pp. 1585-1593
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Distinct Helical Molecular Orbitals through Conformational Lock**
Chemistry - A European Journal, Vol. 26, Núm. 72, pp. 17342-17349
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Unimolecular Electrical Rectification Understood through Electron Deformation Orbitals
Journal of Physical Chemistry C, Vol. 124, Núm. 33, pp. 17924-17931
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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Potential application of h-BNC structures in SERS and SEHRS spectroscopies: A theoretical perspective
Sensors (Switzerland), Vol. 19, Núm. 8
2018
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Can aromaticity enhance the electron transport in molecular wires?
Organic Electronics, Vol. 61, pp. 177-184
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Transmission channels in the time-energy uncertainty relation approach to molecular conductance: Symmetry rules for the electron transport in molecules
International Journal of Quantum Chemistry, Vol. 118, Núm. 20