| 8. | Gastearena, Xuban; Matxain, Jon M.; Ruipérez, Fernando Exploring N2 activation using novel Lewis acid/base pairs: computational insight into frustrated Lewis pair reactivity (Journal Article) In: Dalton Trans., vol. 54, no. 10, pp. 4338–4352, 2025, ISSN: 1477-9234. @article{Gastearena2025,
title = {Exploring N_{2} activation using novel Lewis acid/base pairs: computational insight into frustrated Lewis pair reactivity},
author = {Xuban Gastearena and Jon M. Matxain and Fernando Ruipérez},
doi = {10.1039/d4dt03425b},
issn = {1477-9234},
year = {2025},
date = {2025-03-04},
journal = {Dalton Trans.},
volume = {54},
number = {10},
pages = {4338--4352},
publisher = {Royal Society of Chemistry (RSC)},
abstract = {Geometrically constrained transition metal-free Lewis acids effectively capture N2 and Lewis bases help activate it through a “push–pull” mechanism. Triptycene-based and phosphine-based FLPs represent the most promising candidates for N2 activation.},
keywords = {EJ1584, POL-KT},
pubstate = {published},
tppubtype = {article}
}
Geometrically constrained transition metal-free Lewis acids effectively capture N2 and Lewis bases help activate it through a “push–pull” mechanism. Triptycene-based and phosphine-based FLPs represent the most promising candidates for N2 activation. |
| 7. | Gastearena, Xuban; Barroso-Bujans, Fabienne; Ruipérez, Fernando; Matxain, Jon M. Computational Analysis of the Lewis Acid-Catalyzed Zwitterionic Ring-Expansion Polymerization (ZREP) of Monosubstituted Ethylene Oxide (Journal Article) In: J. Org. Chem., vol. 90, no. 7, pp. 2592–2601, 2025, ISSN: 1520-6904. @article{Gastearena2025b,
title = {Computational Analysis of the Lewis Acid-Catalyzed Zwitterionic Ring-Expansion Polymerization (ZREP) of Monosubstituted Ethylene Oxide},
author = {Xuban Gastearena and Fabienne Barroso-Bujans and Fernando Ruipérez and Jon M. Matxain},
doi = {10.1021/acs.joc.4c02264},
issn = {1520-6904},
year = {2025},
date = {2025-02-21},
journal = {J. Org. Chem.},
volume = {90},
number = {7},
pages = {2592--2601},
publisher = {American Chemical Society (ACS)},
keywords = {EJ1584, POL-KT},
pubstate = {published},
tppubtype = {article}
}
|
| 6. | Almenara, N.; Garralda, M. A.; Lopez, X.; Matxain, J. M.; Freixa, Z.; Huertos, M. A. Hydrogen Tunneling in Catalytic Hydrolysis and Alcoholysis of Silanes (Journal Article) In: Angewandte Chemie-International Edition, vol. 61, no. 36, 2022, ISSN: 1433-7851, (Almenara, Naroa Garralda, Maria A. Lopez, Xabier Matxain, Jon M. Freixa, Zoraida Huertos, Miguel A.
Huertos, Miguel A/K-4242-2014; Lopez, Xabier/G-5690-2015; Matxain, Jon M./J-8184-2014; Freixa, Zoraida/K-4294-2014
Huertos, Miguel A/0000-0002-5315-5642; Lopez, Xabier/0000-0002-2711-3588; Matxain, Jon M./0000-0002-6342-0649; GARRALDA HUALDE, MARIA ANGELES/0000-0001-6058-0412; Freixa, Zoraida/0000-0002-2044-2725
1521-3773). @article{RN338,
title = {Hydrogen Tunneling in Catalytic Hydrolysis and Alcoholysis of Silanes},
author = {N. Almenara and M. A. Garralda and X. Lopez and J. M. Matxain and Z. Freixa and M. A. Huertos},
url = {<Go to ISI>://WOS:000832624500001},
doi = {10.1002/anie.202204558},
issn = {1433-7851},
year = {2022},
date = {2022-01-01},
journal = {Angewandte Chemie-International Edition},
volume = {61},
number = {36},
note = {Almenara, Naroa Garralda, Maria A. Lopez, Xabier Matxain, Jon M. Freixa, Zoraida Huertos, Miguel A.
Huertos, Miguel A/K-4242-2014; Lopez, Xabier/G-5690-2015; Matxain, Jon M./J-8184-2014; Freixa, Zoraida/K-4294-2014
Huertos, Miguel A/0000-0002-5315-5642; Lopez, Xabier/0000-0002-2711-3588; Matxain, Jon M./0000-0002-6342-0649; GARRALDA HUALDE, MARIA ANGELES/0000-0001-6058-0412; Freixa, Zoraida/0000-0002-2044-2725
1521-3773},
keywords = {EJ1584},
pubstate = {published},
tppubtype = {article}
}
|
| 5. | Andrade-Sampedro, P.; Matxain, J. M.; Correa, A. Ru-Catalyzed C-H Hydroxylation of Tyrosine-Containing Di- and Tripeptides toward the Assembly of L-DOPA Derivatives (Journal Article) In: Advanced Synthesis & Catalysis, vol. 364, no. 12, pp. 2072-2079, 2022, ISSN: 1615-4150, (Andrade-Sampedro, Paula Matxain, Jon M. Correa, Arkaitz
Correa, Arkaitz/GQH-5958-2022; Correa, Arkaitz/B-4620-2014; Correa, Arkaitz/K-5787-2019; Matxain, Jon M./J-8184-2014
Correa, Arkaitz/0000-0002-9004-3842; Correa, Arkaitz/0000-0002-9004-3842; Correa, Arkaitz/0000-0002-9004-3842; Andrade-Sampedro, Paula/0000-0002-6643-1052; Matxain, Jon M./0000-0002-6342-0649
1615-4169). @article{RN404,
title = {Ru-Catalyzed C-H Hydroxylation of Tyrosine-Containing Di- and Tripeptides toward the Assembly of L-DOPA Derivatives},
author = {P. Andrade-Sampedro and J. M. Matxain and A. Correa},
url = {<Go to ISI>://WOS:000796768400001},
doi = {10.1002/adsc.202200234},
issn = {1615-4150},
year = {2022},
date = {2022-01-01},
journal = {Advanced Synthesis & Catalysis},
volume = {364},
number = {12},
pages = {2072-2079},
note = {Andrade-Sampedro, Paula Matxain, Jon M. Correa, Arkaitz
Correa, Arkaitz/GQH-5958-2022; Correa, Arkaitz/B-4620-2014; Correa, Arkaitz/K-5787-2019; Matxain, Jon M./J-8184-2014
Correa, Arkaitz/0000-0002-9004-3842; Correa, Arkaitz/0000-0002-9004-3842; Correa, Arkaitz/0000-0002-9004-3842; Andrade-Sampedro, Paula/0000-0002-6643-1052; Matxain, Jon M./0000-0002-6342-0649
1615-4169},
keywords = {EJ1584},
pubstate = {published},
tppubtype = {article}
}
|
| 4. | Irigoyen, M.; Matxain, J. M.; Ruiperez, F. Combined DFT and MD Simulation Protocol to Characterize Self-Healing Properties in Disulfide-Containing Materials: Polyurethanes and Polymethacrylates as Case Studies (Journal Article) In: Frontiers in Materials, vol. 9, 2022, ISSN: 2296-8016, (Irigoyen, Mikel Matxain, Jon M. Ruiperez, Fernando
Matxain, Jon M./J-8184-2014
Matxain, Jon M./0000-0002-6342-0649). @article{RN405,
title = {Combined DFT and MD Simulation Protocol to Characterize Self-Healing Properties in Disulfide-Containing Materials: Polyurethanes and Polymethacrylates as Case Studies},
author = {M. Irigoyen and J. M. Matxain and F. Ruiperez},
url = {<Go to ISI>://WOS:000779641000001},
doi = {10.3389/fmats.2022.859482},
issn = {2296-8016},
year = {2022},
date = {2022-01-01},
journal = {Frontiers in Materials},
volume = {9},
note = {Irigoyen, Mikel Matxain, Jon M. Ruiperez, Fernando
Matxain, Jon M./J-8184-2014
Matxain, Jon M./0000-0002-6342-0649},
keywords = {EJ1584, POL-KT},
pubstate = {published},
tppubtype = {article}
}
|
| 3. | Telleria-Allika, X.; Azor, M. E.; Francois, G.; Bendazzoli, G. L.; Matxain, J. M.; Lopez, X.; Evangelisti, S.; Berger, J. A. The Wigner localization of interacting electrons in a one-dimensional harmonic potential (Journal Article) In: Journal of Chemical Physics, vol. 157, no. 17, 2022, ISSN: 0021-9606, (Telleria-Allika, Xabier Azor, Miguel Escobar Francois, Gregoire Bendazzoli, Gian Luigi Matxain, Jon M. Lopez, Xabier Evangelisti, Stefano Berger, J. Arjan
Berger, Arjan/N-2277-2015; Matxain, Jon M./J-8184-2014
Berger, Arjan/0000-0002-4823-520X; Escobar Azor, Miguel/0000-0002-8090-0820; Matxain, Jon M./0000-0002-6342-0649
1089-7690). @article{RN336,
title = {The Wigner localization of interacting electrons in a one-dimensional harmonic potential},
author = {X. Telleria-Allika and M. E. Azor and G. Francois and G. L. Bendazzoli and J. M. Matxain and X. Lopez and S. Evangelisti and J. A. Berger},
url = {<Go to ISI>://WOS:000880314100003},
doi = {10.1063/5.0112413},
issn = {0021-9606},
year = {2022},
date = {2022-01-01},
journal = {Journal of Chemical Physics},
volume = {157},
number = {17},
note = {Telleria-Allika, Xabier Azor, Miguel Escobar Francois, Gregoire Bendazzoli, Gian Luigi Matxain, Jon M. Lopez, Xabier Evangelisti, Stefano Berger, J. Arjan
Berger, Arjan/N-2277-2015; Matxain, Jon M./J-8184-2014
Berger, Arjan/0000-0002-4823-520X; Escobar Azor, Miguel/0000-0002-8090-0820; Matxain, Jon M./0000-0002-6342-0649
1089-7690},
keywords = {EJ1584},
pubstate = {published},
tppubtype = {article}
}
|
| 2. | Telleria-Allika, X.; Mercero, J. M.; Lopez, X.; Matxain, J. M. Building machine learning assisted phase diagrams: Three chemically relevant examples (Journal Article) In: Aip Advances, vol. 12, no. 7, 2022, (Telleria-Allika, Xabier Mercero, Jose M. Lopez, Xabier Matxain, Jon M.
Matxain, Jon M./J-8184-2014; Mercero, Jose M./E-6828-2010; , xabier/G-5690-2015
Matxain, Jon M./0000-0002-6342-0649; Mercero, Jose M./0000-0003-4857-6685; , xabier/0000-0002-2711-3588
2158-3226). @article{RN339,
title = {Building machine learning assisted phase diagrams: Three chemically relevant examples},
author = {X. Telleria-Allika and J. M. Mercero and X. Lopez and J. M. Matxain},
url = {<Go to ISI>://WOS:000969776600005},
doi = {10.1063/5.0088784},
year = {2022},
date = {2022-01-01},
journal = {Aip Advances},
volume = {12},
number = {7},
note = {Telleria-Allika, Xabier Mercero, Jose M. Lopez, Xabier Matxain, Jon M.
Matxain, Jon M./J-8184-2014; Mercero, Jose M./E-6828-2010; , xabier/G-5690-2015
Matxain, Jon M./0000-0002-6342-0649; Mercero, Jose M./0000-0003-4857-6685; , xabier/0000-0002-2711-3588
2158-3226},
keywords = {EJ1584},
pubstate = {published},
tppubtype = {article}
}
|
| 1. | Rogolino, A.; Claes, N.; Cizaurre, J.; Marauri, A.; Jumbo-Nogales, A.; Lawera, Z.; Kruse, J.; Sanroman-Iglesias, M.; Zarketa, I.; Calvo, U.; Jimenez-Izal, E.; Rakovich, Y. P.; Bals, S.; Matxain, J. M.; Grzelczak, M. Metal-Polymer Heterojunction in Colloidal-Phase Plasmonic Catalysis (Journal Article) In: Journal of Physical Chemistry Letters, vol. 13, no. 10, pp. 2264-2272, 2022, ISSN: 1948-7185. @article{RN406,
title = {Metal-Polymer Heterojunction in Colloidal-Phase Plasmonic Catalysis},
author = {A. Rogolino and N. Claes and J. Cizaurre and A. Marauri and A. Jumbo-Nogales and Z. Lawera and J. Kruse and M. Sanroman-Iglesias and I. Zarketa and U. Calvo and E. Jimenez-Izal and Y. P. Rakovich and S. Bals and J. M. Matxain and M. Grzelczak},
url = {<Go to ISI>://WOS:000776518000001},
doi = {10.1021/acs.jpclett.1c04242},
issn = {1948-7185},
year = {2022},
date = {2022-01-01},
urldate = {2022-01-01},
journal = {Journal of Physical Chemistry Letters},
volume = {13},
number = {10},
pages = {2264-2272},
keywords = {EJ1584},
pubstate = {published},
tppubtype = {article}
}
|