Enrique M. Cabaleiro-Lago | Scholar Profiles and Rankings

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Functional group corrections to the GFN2-xTB and PM6 semiempirical methods for noncovalent interactions in alkanes and alkenes (journal article) Cabaleiro-Lago, Enrique M. \| Fernández, Berta \| Rodríguez-Fernández, Roberto \| Rodríguez-Otero, Jesús \| Vázquez, Saulo A. The Journal of Chemical Physics, volume 158, issue 12 (2023). 10.1063/5.0140668 Cited by (1) \| Cite \| Source
Electrostatic penetration effects stand at the heart of aromatic π interactions (journal article) Cabaleiro-Lago, Enrique M. \| Rodríguez-Otero, Jesús \| Vázquez, Saulo A. Physical Chemistry Chemical Physics, volume 24, issue 15, pages 8979-8991 (2022). 10.1039/D2CP00714B Cited by (5) \| Cite \| Source
The PM6-FGC Method: Improved Corrections for Amines and Amides (journal article) Ríos-García, Martiño \| Fernández, Berta \| Rodríguez-Otero, Jesús \| Cabaleiro-Lago, Enrique M. \| Vázquez, Saulo A. Molecules, volume 27, issue 5, pages 1678- (2022). 10.3390/molecules27051678 Cited by (2) \| Cite \| Source
New Approach for Correcting Noncovalent Interactions in Semiempirical Quantum Mechanical Methods: The Importance of Multiple-Orientation Sampling (journal article) Pérez-Tabero, Sergio \| Fernández, Berta \| Cabaleiro-Lago, Enrique M. \| Martínez-Núñez, Emilio \| Vázquez, Saulo A. Journal of Chemical Theory and Computation, volume 17, issue 9, pages 5556-5567 (2021). 10.1021/acs.jctc.1c00365 Cited by (6) \| Cite \| Source
On the nature of the substituent effect in slipped π-π structures (conference) Cabaleiro-Lago, Enrique M. \| Carrazana-García, Jorge A. \| Rodríguez-Otero, Jesús The 24th International Electronic Conference on Synthetic Organic Chemistry (2020) Sciforum.net 10.3390/ecsoc-24-08362 Cite \| Source
Curvature and size effects hinder halogen bonds with extended π systems (journal article) Cabaleiro-Lago, Enrique M. \| Rodríguez-Otero, Jesús Physical Chemistry Chemical Physics, volume 22, issue 38, pages 21988-22002 (2020). 10.1039/D0CP03466E Cited by (4) \| Cite \| Source
The relative position of π–π interacting rings notably changes the nature of the substituent effect (journal article) Cabaleiro-Lago, Enrique M. \| Rodríguez-Otero, Jesús \| Vázquez, Saulo A. Physical Chemistry Chemical Physics, volume 22, issue 21, pages 12068-12081 (2020). 10.1039/D0CP01253J Cited by (6) \| Cite \| Source
Computational study of stacked complexes of aliphatic and aromatic species (conference) Cabaleiro-Lago, Enrique M. \| Carrazana-García, Jorge A. \| Gonzalez-Veloso, Ivan \| Rodríguez-Otero, Jesús The 23rd International Electronic Conference on Synthetic Organic Chemistry (2019) Sciforum.net 10.3390/ecsoc-23-06603 Cite \| Source
Endohedral alkali cations promote charge transfer transitions in complexes of C60 with [10]cycloparaphenylenes (journal article) González-Veloso, Iván \| Rodríguez-Otero, Jesús \| Cabaleiro-Lago, Enrique M. Physical Chemistry Chemical Physics, volume 21, issue 30, pages 16665-16675 (2019). 10.1039/C9CP02625H Cited by (18) \| Cite \| Source
Size and shape effects on complexes of fullerenes with carbon nanorings: C50 and C76 as [10]CPP and [6]CPPA guests (journal article) González-Veloso, Iván \| Rodríguez-Otero, Jesús \| Cabaleiro-Lago, Enrique M. Structural Chemistry, volume 30, issue 3, pages 647-656 (2019). 10.1007/s11224-018-1209-y Cited by (2) \| Cite \| Source
Rational Design of Efficient Environmental Sensors: Ring-Shaped Nanostructures Can Capture Quat Herbicides (journal article) Vidal-Vidal, Ángel \| Cabaleiro-Lago, Enrique M. \| Silva López, Carlos \| Faza, Olalla Nieto ACS Omega, volume 3, issue 12, pages 16976-16988 (2018). 10.1021/acsomega.8b02673 Cited by (6) \| Cite \| Source
Assessment of electronic transitions involving intermolecular charge transfer in complexes formed by fullerenes and donor–acceptor nanohoops (journal article) González-Veloso, Iván \| Rodríguez-Otero, Jesús \| Cabaleiro-Lago, Enrique M. Physical Chemistry Chemical Physics, volume 20, issue 44, pages 27791-27803 (2018). 10.1039/C8CP04119A Cited by (5) \| Cite \| Source
On the Nature of σ–σ, σ–π, and π–π Stacking in Extended Systems (journal article) Cabaleiro-Lago, Enrique M. \| Rodríguez-Otero, Jesús ACS Omega, volume 3, issue 8, pages 9348-9359 (2018). 10.1021/acsomega.8b01339 Cited by (50) \| Cite \| Source \| Open Access
Influence of Multiple Conformations and Paths on Rate Constants and Product Branching Ratios. Thermal Decomposition of 1-Propanol Radicals (journal article) Ferro-Costas, David \| Martínez-Núñez, Emilio \| Rodríguez-Otero, Jesús \| Cabaleiro-Lago, Enrique \| Estévez, Carlos M. \| Fernández, Berta \| Fernández-Ramos, Antonio \| Vázquez, Saulo A. The Journal of Physical Chemistry A, volume 122, issue 21, pages 4790-4800 (2018). 10.1021/acs.jpca.8b02949 Cited by (37) \| Cite \| Source
Dissecting the concave–convex π‐π interaction in corannulene and sumanene dimers: SAPT(DFT) analysis and performance of DFT dispersion‐corrected methods (journal article) Cabaleiro‐Lago, Enrique M. \| Fernández, Berta \| Rodríguez‐Otero, Jesús Journal of Computational Chemistry, volume 39, issue 2, pages 93-104 (2018). 10.1002/jcc.25084 Cited by (14) \| Cite \| Source
Fullerene size controls the selective complexation of [11]CPP with pristine and endohedral fullerenes (journal article) González-Veloso, I. \| Cabaleiro-Lago, E. M. \| Rodríguez-Otero, J. Physical Chemistry Chemical Physics, volume 20, issue 16, pages 11347-11358 (2018). 10.1039/C8CP00503F Cited by (25) \| Cite \| Source
Complexes of fullerenes C<sub>78</sub> and Sc<sub>3</sub>N@C<sub>78</sub> with concave receptors (conference) Cabaleiro-Lago, Enrique M. \| Carrazana-García, Jorge A. \| González-Veloso, Iván \| Rodríguez-Otero, Jesús The 21st International Electronic Conference on Synthetic Organic Chemistry (2017) Sciforum.net 10.3390/ecsoc-21-04743 Cite \| Source \| Open Access
σ‐σ, σ‐π, and π‐π Stacking Interactions between Six‐Membered Cyclic Systems. Dispersion Dominates and Electrostatics Commands (journal article) Cabaleiro‐Lago, Enrique M. \| Rodríguez‐Otero, Jesús ChemistrySelect, volume 2, issue 18, pages 5157-5166 (2017). 10.1002/slct.201700671 Cited by (18) \| Cite \| Source
A theoretical study of complexes formed between cations and curved aromatic systems: electrostatics does not always control cation–π interaction (journal article) Carrazana-García, Jorge A. \| Cabaleiro-Lago, Enrique M. \| Rodríguez-Otero, Jesús Physical Chemistry Chemical Physics, volume 19, issue 16, pages 10543-10553 (2017). 10.1039/C7CP01491K Cited by (15) \| Cite \| Source
A theoretical study of complexes between fullerenes and concave receptors with interest in photovoltaics (journal article) Cabaleiro-Lago, E. M. \| Rodríguez-Otero, J. \| Carrazana-García, J. A. Phys. Chem. Chem. Phys., volume 19, issue 39, pages 26787-26798 (2017). 10.1039/C7CP03665E Cited by (25) \| Cite \| Source