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Valero Montero, Rosendo
71
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Online (71)
Mediatypes
Articles (Online) (53)
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1
Artificial-intelligence-driven discovery of catalyst genes ..:
Mazheika, Aliaksei
;
Wang, Yang-Gang
;
Valero Montero, Rosendo
...
Reproducció del document publicat a: https://doi.org/10.1038/s41467-022-28042-z. , 2022
Link:
http://hdl.handle.net/24..
?
2
Barnes Update Applied in the Gauss−Newton Method: An Improv..:
Bofill i Villà, Josep M
;
Valero Montero, Rosendo
;
Ribas Ariño, Jordi
.
Versió postprint del document publicat a: https://doi.org/10.1021/acs.jctc.0c00910. , 2021
Link:
http://hdl.handle.net/24..
?
3
Quantum equilibration of the double-proton transfer in a mo..:
Albareda, Guillermo
;
Riera, Arnau
;
González Pérez, Miguel
...
Reproducció del document publicat a: https://doi.org/10.1039/d0cp02991b. , 2020
Link:
http://hdl.handle.net/24..
?
4
Investigating the character of excited states in TiO2 nanop..:
Valero Montero, Rosendo
;
Morales García, Ángel
;
Illas i Riera, Francesc
Versió postprint del document publicat a: https://doi.org/10.1039/c9cp05526f. , 2020
Link:
http://hdl.handle.net/24..
?
5
Morphology of TiO2 nanoparticles as fingerprint for the tra..:
Morales García, Ángel
;
Valero Montero, Rosendo
;
Illas i Riera, Francesc
Versió postprint del document publicat a: https://doi.org/10.1021/acs.jpcc.0c02946. , 2020
Link:
http://hdl.handle.net/24..
?
6
Interplay between the gentlest ascent dynamics method and c..:
Bofill i Villà, Josep M
;
Ribas Ariño, Jordi
;
Valero Montero, Rosendo
...
Versió postprint del document publicat a: https://doi.org/10.1021/acs.jctc.8b01061. , 2019
Link:
http://hdl.handle.net/24..
?
7
Electronic properties of realistic anatase TiO2 nanoparticl..:
Morales García, Ángel
;
Valero Montero, Rosendo
;
Illas i Riera, Francesc
Versió postprint del document publicat a: https://doi.org/10.1021/acs.jctc.9b00516. , 2019
Link:
http://hdl.handle.net/24..
?
8
Reliable and computationally affordable prediction of the e..:
Morales García, Ángel
;
Valero Montero, Rosendo
;
Illas i Riera, Francesc
Versió postprint del document publicat a: https://doi.org/10.1039/c8cp03582b. , 2018
Link:
http://hdl.handle.net/24..
?
9
Properties of single oxygen vacancies on a realistic (TiO2)..:
Morales García, Ángel
;
Lamiel Garcia, Josep Oriol
;
Valero Montero, Rosendo
.
Versió postprint del document publicat a: https://doi.org/10.1021/acs.jpcc.7b11269. , 2018
Link:
http://hdl.handle.net/24..
?
10
Theoretical modeling of electronic excitations of gas-phase..:
Valero Montero, Rosendo
;
Morales García, Ángel
;
Illas i Riera, Francesc
Versió postprint del document publicat a: https://doi.org/10.1021/acs.jctc.8b00651. , 2018
Link:
http://hdl.handle.net/24..
?
11
An empirical, yet practical way to predict the band gap in ..:
Morales García, Ángel
;
Valero Montero, Rosendo
;
Illas i Riera, Francesc
Versió postprint del document publicat a: https://doi.org/10.1021/acs.jpcc.7b07421. , 2017
Link:
http://hdl.handle.net/24..
?
12
Performance of the G(0)W(0) method in predicting the electr..:
Morales García, Ángel
;
Valero Montero, Rosendo
;
Illas i Riera, Francesc
Versió postprint del document publicat a: https://doi.org/10.1021/acs.jctc.7b00308. , 2017
Link:
http://hdl.handle.net/24..
?
13
Adsorption and dissociation of molecular hydrogen on orthor..:
Posada Pérez, Sergio
;
Viñes Solana, Francesc
;
Valero Montero, Rosendo
..
info:eu-repo/semantics/altIdentifier/doi/10.1016/j.susc.2016.10.001. , 2016
Link:
http://hdl.handle.net/24..
?
14
Intriguing Electrostatic Potential of CO: Negative Bond-end..:
Kim, Hahn
;
Doan, Van Dung
;
Cho, Woo Jong
...
Reproducció del document publicat a: https://doi.org/10.1038/srep16307. , 2015
Link:
http://hdl.handle.net/24..
?
15
Ab initio 1A' ground potential energy surface and transitio..:
González Pérez, Miguel
;
Valero Montero, Rosendo
;
Anglada Rull, Josep Maria
.
Reproducció del document publicat a: https://doi.org/10.1063/1.1398101. , 2001
Link:
http://hdl.handle.net/24..
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