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Rodríguez‐Otero, Jesús
231  results:
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1

Dissecting the concave–convex π‐π interaction in corannulen..:

Cabaleiro‐Lago, Enrique M. ; Fernández, Berta ; Rodríguez‐Otero, Jesús
Journal of Computational Chemistry.  39 (2017)  2 - p. 93-104 , 2017
Link: https://doi.org/10.1002/..
 
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2

σ‐σ, σ‐π, and π‐π Stacking Interactions between Six‐Membere..:

Cabaleiro‐Lago, Enrique M. ; Rodríguez‐Otero, Jesús
ChemistrySelect.  2 (2017)  18 - p. 5157-5166 , 2017
Link: https://doi.org/10.1002/..
 
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3

Interaction of aromatic units of amino acids with guanidini..:

Campo‐Cacharrón, Alba ; Cabaleiro‐Lago, Enrique M. ; Carrazana‐García, Jorge A..
Journal of Computational Chemistry.  35 (2014)  17 - p. 1290-1301 , 2014
Link: https://doi.org/10.1002/..
 
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4

Performance of DFT hybrid functionals in the theoretical tr..:

Guadarrama, Patricia ; Soto‐Castro, Delia ; Rodríguez‐Otero, Jesús
International Journal of Quantum Chemistry.  108 (2007)  2 - p. 229-237 , 2007
Link: https://doi.org/10.1002/..
 
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5

DFT Study of the Nucleophilic Addition of Water to Ketenes:

Rodríguez‐Otero, Jesús ; Hermida‐Ramón, Jose M. ; Cabaleiro‐Lago, Enrique M.
European Journal of Organic Chemistry.  2007 (2007)  14 - p. 2344-2351 , 2007
Link: https://doi.org/10.1002/..
 
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6

A Density Functional Theory Study on the Electrocyclization..:

Cabaleiro‐Lago, Enrique M. ; Rodríguez‐Otero, Jesús ; García‐López, Rosa M...
Chemistry – A European Journal.  11 (2005)  20 - p. 5966-5974 , 2005
Link: https://doi.org/10.1002/..
 
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7

A DFT Study of the Concerted Cyclisation of 3‐Azidopropenal..:

Peña‐Gallego, Angeles ; Rodríguez‐Otero, Jesús ; Cabaleiro‐Lago, Enrique M.
European Journal of Organic Chemistry.  2005 (2005)  15 - p. 3228-3232 , 2005
Link: https://doi.org/10.1002/..
 
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8

Criteria for the Elucidation of the Pseudopericyclic Charac..:

Rodríguez‐Otero, Jesús ; Cabaleiro‐Lago, Enrique M.
Chemistry – A European Journal.  9 (2003)  8 - p. 1837-1843 , 2003
Link: https://doi.org/10.1002/..
 
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9

Functional group corrections to the GFN2-xTB and PM6 semiem..:

Cabaleiro-Lago, Enrique M. ; Fernández, Berta ; Rodríguez-Fernández, Roberto..
The Journal of Chemical Physics.  158 (2023)  12 - p. , 2023
Link: https://doi.org/10.1063/..
 
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10

Electrostatic penetration effects stand at the heart of aro..:

Cabaleiro-Lago, Enrique M. ; Rodríguez-Otero, Jesús ; Vázquez, Saulo A.
Physical Chemistry Chemical Physics.  24 (2022)  15 - p. 8979-8991 , 2022
Link: https://doi.org/10.1039/..
 
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11

The PM6-FGC Method: Improved Corrections for Amines and Ami..:

Ríos-García, Martiño ; Fernández, Berta ; Rodríguez-Otero, Jesús..
Molecules.  27 (2022)  5 - p. 1678 , 2022
Link: https://doi.org/10.3390/..
 
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12

The relative position of π–π interacting rings notably chan..:

Cabaleiro-Lago, Enrique M. ; Rodríguez-Otero, Jesús ; Vázquez, Saulo A.
Physical Chemistry Chemical Physics.  22 (2020)  21 - p. 12068-12081 , 2020
Link: https://doi.org/10.1039/..
 
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13

Curvature and size effects hinder halogen bonds with extend..:

Cabaleiro-Lago, Enrique M. ; Rodríguez-Otero, Jesús
Physical Chemistry Chemical Physics.  22 (2020)  38 - p. 21988-22002 , 2020
Link: https://doi.org/10.1039/..
 
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14

Endohedral alkali cations promote charge transfer transitio..:

González-Veloso, Iván ; Rodríguez-Otero, Jesús ; Cabaleiro-Lago, Enrique M.
Physical Chemistry Chemical Physics.  21 (2019)  30 - p. 16665-16675 , 2019
Link: https://doi.org/10.1039/..
 
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15

Assessment of electronic transitions involving intermolecul..:

González-Veloso, Iván ; Rodríguez-Otero, Jesús ; Cabaleiro-Lago, Enrique M.
Physical Chemistry Chemical Physics.  20 (2018)  44 - p. 27791-27803 , 2018
Link: https://doi.org/10.1039/..
 
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