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Rodríguez-Otero, Jesús
2534  Ergebnisse:
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1

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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2

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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3

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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4

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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5

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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6

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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7

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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8

Influence of Multiple Conformations and Paths on Rate Const..:

Ferro-Costas, David ; Martínez-Núñez, Emilio ; Rodríguez-Otero, Jesús...
The Journal of Physical Chemistry A.  122 (2018)  21 - p. 4790-4800 , 2018
Link: https://doi.org/10.1021/..
 
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9

Size and shape effects on complexes of fullerenes with carb..:

González-Veloso, Iván ; Rodríguez-Otero, Jesús ; Cabaleiro-Lago, Enrique M.
Structural Chemistry.  30 (2018)  3 - p. 647-656 , 2018
Link: https://doi.org/10.1007/..
 
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10

A theoretical study of complexes formed between cations and..:

Carrazana-García, Jorge A. ; Cabaleiro-Lago, Enrique M. ; Rodríguez-Otero, Jesús
Physical Chemistry Chemical Physics.  19 (2017)  16 - p. 10543-10553 , 2017
Link: https://doi.org/10.1039/..
 
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11

Carbon-nanorings ([10]CPP and [6]CPPA) as fullerene (C60 an..:

González-Veloso, Iván ; Rodríguez-Otero, Jesús ; Cabaleiro-Lago, Enrique M.
Physical Chemistry Chemical Physics.  18 (2016)  46 - p. 31670-31679 , 2016
Link: https://doi.org/10.1039/..
 
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12

Comment on "Theoretical studies on a carbonaceous molecular..:

Cabaleiro-Lago, Enrique M. ; Rodríguez-Otero, Jesús ; Gil, Adrià
Chemical Science.  7 (2016)  4 - p. 2924-2928 , 2016
Link: https://doi.org/10.1039/..
 
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13

A through-space description of substituent effects leads to..:

Cabaleiro-Lago, Enrique M. ; Rodríguez-Otero, Jesús
Physical Chemistry Chemical Physics.  18 (2016)  20 - p. 13750-13753 , 2016
Link: https://doi.org/10.1039/..
 
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14

Fullerene recognition with molecular tweezers made up of ef..:

Josa, Daniela ; Rodríguez-Otero, Jesús ; Cabaleiro-Lago, Enrique M.
Physical Chemistry Chemical Physics.  17 (2015)  20 - p. 13206-13214 , 2015
Link: https://doi.org/10.1039/..
 
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15

NCI analysis of the interaction cation⋯π in complexes with ..:

González-Veloso, Iván ; Carrazana-García, Jorge A. ; Josa, Daniela..
Computational and Theoretical Chemistry.  1053 (2015)  - p. 123-129 , 2015
Link: https://doi.org/10.1016/..
 
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