| 14. | Gastearena, Xuban; Ruipérez, Fernando; Barroso-Bujans, Fabienne; Lam, Anabel; Matxain, Jon M. An insight into the monomeric isomerism in the polymerization of glycidol with B(C6F5)3: A DFT study of the initiation, propagation and cyclization steps (Journal Article) In: Polymer, vol. 350, no. 129792, 2026, ISSN: 0032-3861. @article{Gastearena2026,
title = {An insight into the monomeric isomerism in the polymerization of glycidol with B(C6F5)3: A DFT study of the initiation, propagation and cyclization steps},
author = {Xuban Gastearena and Fernando Ruipérez and Fabienne Barroso-Bujans and Anabel Lam and Jon M. Matxain},
doi = {10.1016/j.polymer.2026.129792},
issn = {0032-3861},
year = {2026},
date = {2026-04-02},
urldate = {2026-04-02},
journal = {Polymer},
volume = {350},
number = {129792},
publisher = {Elsevier BV},
keywords = {IT2067, POL-KT},
pubstate = {published},
tppubtype = {article}
}
|
| 13. | Calvo, Unai; Matxain, Jon M.; Egurrola, Jose Javier; Burgoa, Aizeti; Ruipérez, Fernando Polymer-metal oxide interfaces in XHNBR/PA6 blends: computational insights toward sustainable crosslinking (Journal Article) In: RSC Adv., vol. 16, no. 10, pp. 9167–9179, 2026, ISSN: 2046-2069. @article{Calvo2026,
title = {Polymer-metal oxide interfaces in XHNBR/PA6 blends: computational insights toward sustainable crosslinking},
author = {Unai Calvo and Jon M. Matxain and Jose Javier Egurrola and Aizeti Burgoa and Fernando Ruipérez},
doi = {10.1039/d5ra09279e},
issn = {2046-2069},
year = {2026},
date = {2026-02-11},
journal = {RSC Adv.},
volume = {16},
number = {10},
pages = {9167--9179},
publisher = {Royal Society of Chemistry (RSC)},
abstract = {Polyamide 6 (PA6) is a high-performance thermoplastic widely used in engineering applications, while carboxylated hydrogenated nitrile rubber (XHNBR) provides viscoelastic damping and reactive carboxyl groups for crosslinking with metal oxides.},
keywords = {IT2067, POL-KT},
pubstate = {published},
tppubtype = {article}
}
Polyamide 6 (PA6) is a high-performance thermoplastic widely used in engineering applications, while carboxylated hydrogenated nitrile rubber (XHNBR) provides viscoelastic damping and reactive carboxyl groups for crosslinking with metal oxides. |
| 12. | 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. |
| 11. | 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}
}
|
| 10. | 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}
}
|
| 9. | Galdeano, M.; Ruiperez, F.; Matxain, J. M. Theoretical Characterization of New Frustrated Lewis Pairs for Responsive Materials (Journal Article) In: Polymers, vol. 13, no. 10, 2021, (Galdeano, Maialen Ruiperez, Fernando Matxain, Jon M.
; Matxain, Jon M./J-8184-2014
Galdeano Fraile, Maialen/0000-0001-8814-5359; Matxain, Jon M./0000-0002-6342-0649
2073-4360). @article{RN409,
title = {Theoretical Characterization of New Frustrated Lewis Pairs for Responsive Materials},
author = {M. Galdeano and F. Ruiperez and J. M. Matxain},
url = {<Go to ISI>://WOS:000655156500001},
doi = {10.3390/polym13101573},
year = {2021},
date = {2021-01-01},
journal = {Polymers},
volume = {13},
number = {10},
note = {Galdeano, Maialen Ruiperez, Fernando Matxain, Jon M.
; Matxain, Jon M./J-8184-2014
Galdeano Fraile, Maialen/0000-0001-8814-5359; Matxain, Jon M./0000-0002-6342-0649
2073-4360},
keywords = {POL-KT},
pubstate = {published},
tppubtype = {article}
}
|
| 8. | Erice, A.; Azcune, I.; Luzuriaga, A. R.; Ruiperez, F.; Irigoyen, M.; Matxain, J. M.; Asua, J. M.; Grande, H. J.; Rekondo, A. Effect of Regioisomerism on Processability and Mechanical Properties of Amine/Urea Exchange Based Poly(urea-urethane) Vitrimers (Journal Article) In: Acs Applied Polymer Materials, vol. 1, no. 9, pp. 2472-2481, 2019, ISSN: 2637-6105. @article{RN416,
title = {Effect of Regioisomerism on Processability and Mechanical Properties of Amine/Urea Exchange Based Poly(urea-urethane) Vitrimers},
author = {A. Erice and I. Azcune and A. R. Luzuriaga and F. Ruiperez and M. Irigoyen and J. M. Matxain and J. M. Asua and H. J. Grande and A. Rekondo},
url = {<Go to ISI>://WOS:000486361400023},
doi = {10.1021/acsapm.9b00589},
issn = {2637-6105},
year = {2019},
date = {2019-01-01},
urldate = {2019-01-01},
journal = {Acs Applied Polymer Materials},
volume = {1},
number = {9},
pages = {2472-2481},
keywords = {POL-KT},
pubstate = {published},
tppubtype = {article}
}
|
| 7. | Irigoyen, M.; Matxain, J. M.; Ruiperez, F. Effect of Molecular Structure in the Chain Mobility of Dichalcogenide-Based Polymers with Self-Healing Capacity (Journal Article) In: Polymers, vol. 11, no. 12, 2019. @article{RN414,
title = {Effect of Molecular Structure in the Chain Mobility of Dichalcogenide-Based Polymers with Self-Healing Capacity},
author = {M. Irigoyen and J. M. Matxain and F. Ruiperez},
url = {<Go to ISI>://WOS:000507624500053},
doi = {10.3390/polym11121960},
year = {2019},
date = {2019-01-01},
urldate = {2019-01-01},
journal = {Polymers},
volume = {11},
number = {12},
keywords = {POL-KT},
pubstate = {published},
tppubtype = {article}
}
|
| 6. | Irigoyen, M.; Fernandez, A.; Ruiz, A.; Ruiperez, F.; Matxain, J. M. Diselenide Bonds as an Alternative to Outperform the Efficiency of Disulfides in Self-Healing Materials (Journal Article) In: Journal of Organic Chemistry, vol. 84, no. 7, pp. 4200-4210, 2019, ISSN: 0022-3263. @article{RN417,
title = {Diselenide Bonds as an Alternative to Outperform the Efficiency of Disulfides in Self-Healing Materials},
author = {M. Irigoyen and A. Fernandez and A. Ruiz and F. Ruiperez and J. M. Matxain},
url = {<Go to ISI>://WOS:000464250800043},
doi = {10.1021/acs.joc.9b00014},
issn = {0022-3263},
year = {2019},
date = {2019-01-01},
urldate = {2019-01-01},
journal = {Journal of Organic Chemistry},
volume = {84},
number = {7},
pages = {4200-4210},
keywords = {POL-KT},
pubstate = {published},
tppubtype = {article}
}
|
| 5. | Vallan, L.; Urriolabeitia, E. P.; Ruiperez, F.; Matxain, J. M.; Canton-Vitoria, R.; Tagmatarchis, N.; Benito, A. M.; Maser, W. K. Supramolecular-Enhanced Charge Transfer within Entangled Polyamide Chains as the Origin of the Universal Blue Fluorescence of Polymer Carbon Dots (Journal Article) In: Journal of the American Chemical Society, vol. 140, no. 40, pp. 12862-12869, 2018, ISSN: 0002-7863, (Vallan, Lorenzo Urriolabeitia, Esteban P. Ruiperez, Fernando Matxain, Jon M. Canton-Vitoria, Ruben Tagmatarchis, Nikos Benito, Ana M. Maser, Wolfgang K.
Urriolabeitia, Esteban/K-2116-2014; Ruiperez, Fernando/H-9744-2013; Maser, Wolfgang K/L-7342-2014; Cantón-Vitoria, Rubén/HTO-6231-2023; Matxain, Jon M./J-8184-2014; BENITO, ANA/B-2065-2012
Urriolabeitia, Esteban/0000-0001-9779-5820; Ruiperez, Fernando/0000-0002-5585-245X; Maser, Wolfgang K/0000-0003-4253-0758; Cantón-Vitoria, Rubén/0000-0003-0595-0323; Matxain, Jon M./0000-0002-6342-0649; BENITO, ANA/0000-0002-8654-7386
1520-5126). @article{RN418,
title = {Supramolecular-Enhanced Charge Transfer within Entangled Polyamide Chains as the Origin of the Universal Blue Fluorescence of Polymer Carbon Dots},
author = {L. Vallan and E. P. Urriolabeitia and F. Ruiperez and J. M. Matxain and R. Canton-Vitoria and N. Tagmatarchis and A. M. Benito and W. K. Maser},
url = {<Go to ISI>://WOS:000447354800035},
doi = {10.1021/jacs.8b06051},
issn = {0002-7863},
year = {2018},
date = {2018-01-01},
journal = {Journal of the American Chemical Society},
volume = {140},
number = {40},
pages = {12862-12869},
note = {Vallan, Lorenzo Urriolabeitia, Esteban P. Ruiperez, Fernando Matxain, Jon M. Canton-Vitoria, Ruben Tagmatarchis, Nikos Benito, Ana M. Maser, Wolfgang K.
Urriolabeitia, Esteban/K-2116-2014; Ruiperez, Fernando/H-9744-2013; Maser, Wolfgang K/L-7342-2014; Cantón-Vitoria, Rubén/HTO-6231-2023; Matxain, Jon M./J-8184-2014; BENITO, ANA/B-2065-2012
Urriolabeitia, Esteban/0000-0001-9779-5820; Ruiperez, Fernando/0000-0002-5585-245X; Maser, Wolfgang K/0000-0003-4253-0758; Cantón-Vitoria, Rubén/0000-0003-0595-0323; Matxain, Jon M./0000-0002-6342-0649; BENITO, ANA/0000-0002-8654-7386
1520-5126},
keywords = {POL-KT},
pubstate = {published},
tppubtype = {article}
}
|
| 4. | Ruiperez, F.; Galdeano, M.; Gimenez, E.; Matxain, J. M. Sulfenamides as Building Blocks for Efficient Disulfide-Based Self-Healing Materials. A Quantum Chemical Study (Journal Article) In: Chemistryopen, vol. 7, no. 3, pp. 248-255, 2018, ISSN: 2191-1363, (Ruiperez, Fernando Galdeano, Maialen Gimenez, Ekine Matxain, Jon M.
Ruiperez, Fernando/H-9744-2013; Matxain, Jon M./J-8184-2014
Ruiperez, Fernando/0000-0002-5585-245X; Matxain, Jon M./0000-0002-6342-0649). @article{RN421,
title = {Sulfenamides as Building Blocks for Efficient Disulfide-Based Self-Healing Materials. A Quantum Chemical Study},
author = {F. Ruiperez and M. Galdeano and E. Gimenez and J. M. Matxain},
url = {<Go to ISI>://WOS:000428990700005},
doi = {10.1002/open.201800003},
issn = {2191-1363},
year = {2018},
date = {2018-01-01},
journal = {Chemistryopen},
volume = {7},
number = {3},
pages = {248-255},
note = {Ruiperez, Fernando Galdeano, Maialen Gimenez, Ekine Matxain, Jon M.
Ruiperez, Fernando/H-9744-2013; Matxain, Jon M./J-8184-2014
Ruiperez, Fernando/0000-0002-5585-245X; Matxain, Jon M./0000-0002-6342-0649},
keywords = {POL-KT},
pubstate = {published},
tppubtype = {article}
}
|
| 3. | Erice, A.; Luzuriaga, A. R.; Matxain, J. M.; Ruiperez, F.; Asua, J. M.; Grande, H. J.; Rekondo, A. Reprocessable and recyclable crosslinked poly(urea-urethane)s based on dynamic amine/urea exchange (Journal Article) In: Polymer, vol. 145, pp. 127-136, 2018, ISSN: 0032-3861, (Erice, Ainara Ruiz de Luzuriaga, Alaitz Matxain, Jon M. Ruiperez, Fernando Asua, Jose M. Grande, Hans J. Rekondo, Alaitz
Asua, Jose M/B-2288-2015; Matxain, Jon M./J-8184-2014; Ruiperez, Fernando/H-9744-2013
Matxain, Jon M./0000-0002-6342-0649; Ruiperez, Fernando/0000-0002-5585-245X; Erice, Ainara/0000-0001-7230-1337; Rekondo, Alaitz/0000-0003-2195-5167
1873-2291). @article{RN419,
title = {Reprocessable and recyclable crosslinked poly(urea-urethane)s based on dynamic amine/urea exchange},
author = {A. Erice and A. R. Luzuriaga and J. M. Matxain and F. Ruiperez and J. M. Asua and H. J. Grande and A. Rekondo},
url = {<Go to ISI>://WOS:000433147700015},
doi = {10.1016/j.polymer.2018.04.076},
issn = {0032-3861},
year = {2018},
date = {2018-01-01},
journal = {Polymer},
volume = {145},
pages = {127-136},
note = {Erice, Ainara Ruiz de Luzuriaga, Alaitz Matxain, Jon M. Ruiperez, Fernando Asua, Jose M. Grande, Hans J. Rekondo, Alaitz
Asua, Jose M/B-2288-2015; Matxain, Jon M./J-8184-2014; Ruiperez, Fernando/H-9744-2013
Matxain, Jon M./0000-0002-6342-0649; Ruiperez, Fernando/0000-0002-5585-245X; Erice, Ainara/0000-0001-7230-1337; Rekondo, Alaitz/0000-0003-2195-5167
1873-2291},
keywords = {POL-KT},
pubstate = {published},
tppubtype = {article}
}
|
| 2. | Formoso, E.; Asua, J. M.; Matxain, J. M.; Ruiperez, F. The role of non-covalent interactions in the self-healing mechanism of disulfide-based polymers (Journal Article) In: Physical Chemistry Chemical Physics, vol. 19, no. 28, pp. 18461-18470, 2017, ISSN: 1463-9076, (Formoso, Elena Asua, Jose M. Matxain, Jon M. Ruiperez, Fernando
Ruiperez, Fernando/H-9744-2013; Matxain, Jon M./J-8184-2014; Formoso, Elena/E-6834-2010; Asua, Jose M/B-2288-2015
Ruiperez, Fernando/0000-0002-5585-245X; Matxain, Jon M./0000-0002-6342-0649; Formoso, Elena/0000-0002-7106-3717;
1463-9084). @article{RN423,
title = {The role of non-covalent interactions in the self-healing mechanism of disulfide-based polymers},
author = {E. Formoso and J. M. Asua and J. M. Matxain and F. Ruiperez},
url = {<Go to ISI>://WOS:000406089200040},
doi = {10.1039/c7cp03570e},
issn = {1463-9076},
year = {2017},
date = {2017-01-01},
journal = {Physical Chemistry Chemical Physics},
volume = {19},
number = {28},
pages = {18461-18470},
note = {Formoso, Elena Asua, Jose M. Matxain, Jon M. Ruiperez, Fernando
Ruiperez, Fernando/H-9744-2013; Matxain, Jon M./J-8184-2014; Formoso, Elena/E-6834-2010; Asua, Jose M/B-2288-2015
Ruiperez, Fernando/0000-0002-5585-245X; Matxain, Jon M./0000-0002-6342-0649; Formoso, Elena/0000-0002-7106-3717;
1463-9084},
keywords = {POL-KT},
pubstate = {published},
tppubtype = {article}
}
|
| 1. | An, X. W.; Aguirresarobe, R. H.; Irusta, L.; Ruiperez, F.; Matxain, J. M.; Pan, X. Q.; Aramburu, N.; Mecerreyes, D.; Sardon, H.; Zhu, J. Aromatic diselenide crosslinkers to enhance the reprocessability and self-healing of polyurethane thermosets (Journal Article) In: Polymer Chemistry, vol. 8, no. 23, pp. 3641-3646, 2017, ISSN: 1759-9954, (An, Xiaowei Aguirresarobe, Robert H. Irusta, Lourdes Ruiperez, Fernando Matxain, Jon M. Pan, Xiangqiang Aramburu, Nora Mecerreyes, David Sardon, Haritz Zhu, Jian
Mecerreyes, David/K-7541-2014; Ruiperez, Fernando/H-9744-2013; Irusta, Lourdes/X-5502-2019; Matxain, Jon M./J-8184-2014; Pan, Xiangqiang/B-7881-2012; Sardon, Haritz/C-4044-2015; Zhu, Jian/O-3062-2013
Mecerreyes, David/0000-0002-0788-7156; Ruiperez, Fernando/0000-0002-5585-245X; Irusta, Lourdes/0000-0003-2079-8016; Matxain, Jon M./0000-0002-6342-0649; Pan, Xiangqiang/0000-0003-4865-9763; Sardon, Haritz/0000-0002-6268-0916; Aguirresarobe, Robert/0000-0001-9736-9098; Zhu, Jian/0000-0002-2704-7656; Aranburu, Nora/0000-0001-5730-9867
1759-9962). @article{RN424,
title = {Aromatic diselenide crosslinkers to enhance the reprocessability and self-healing of polyurethane thermosets},
author = {X. W. An and R. H. Aguirresarobe and L. Irusta and F. Ruiperez and J. M. Matxain and X. Q. Pan and N. Aramburu and D. Mecerreyes and H. Sardon and J. Zhu},
url = {<Go to ISI>://WOS:000403216500011},
doi = {10.1039/c7py00448f},
issn = {1759-9954},
year = {2017},
date = {2017-01-01},
journal = {Polymer Chemistry},
volume = {8},
number = {23},
pages = {3641-3646},
note = {An, Xiaowei Aguirresarobe, Robert H. Irusta, Lourdes Ruiperez, Fernando Matxain, Jon M. Pan, Xiangqiang Aramburu, Nora Mecerreyes, David Sardon, Haritz Zhu, Jian
Mecerreyes, David/K-7541-2014; Ruiperez, Fernando/H-9744-2013; Irusta, Lourdes/X-5502-2019; Matxain, Jon M./J-8184-2014; Pan, Xiangqiang/B-7881-2012; Sardon, Haritz/C-4044-2015; Zhu, Jian/O-3062-2013
Mecerreyes, David/0000-0002-0788-7156; Ruiperez, Fernando/0000-0002-5585-245X; Irusta, Lourdes/0000-0003-2079-8016; Matxain, Jon M./0000-0002-6342-0649; Pan, Xiangqiang/0000-0003-4865-9763; Sardon, Haritz/0000-0002-6268-0916; Aguirresarobe, Robert/0000-0001-9736-9098; Zhu, Jian/0000-0002-2704-7656; Aranburu, Nora/0000-0001-5730-9867
1759-9962},
keywords = {POL-KT},
pubstate = {published},
tppubtype = {article}
}
|