Kimika Teorikoa

@article{Dalmau2023,

title = {Fluorescence Amplification of Unsaturated Oxazolones Using Palladium: Photophysical and Computational Studies},

author = {David Dalmau and Olga Crespo and Jon M. Matxain and Esteban P. Urriolabeitia},

doi = {10.1021/acs.inorgchem.3c00601},

issn = {1520-510X},

year  = {2023},

date = {2023-06-26},

journal = {Inorg. Chem.},

volume = {62},

number = {25},

pages = {9792--9806},

publisher = {American Chemical Society (ACS)},

keywords = {Inorganic Chemistry, Physical and Theoretical Chemistry},

pubstate = {published},

tppubtype = {article}

}

@article{RN2,

title = {Few electron systems confined in Gaussian potential wells and connection to Hooke atoms},

author = {X. Telleria-Allika and J. M. Mercero and J. M. Ugalde and X. Lopez and J. M. Matxain},

url = {<Go to ISI>://WOS:000882059200001},

doi = {10.1002/qua.27043},

issn = {0020-7608},

year  = {2023},

date = {2023-01-01},

journal = {International Journal of Quantum Chemistry},

volume = {123},

number = {5},

note = {Telleria-Allika, Xabier Mercero, Jose M. Ugalde, Jesus M. Lopez, Xabier Matxain, Jon M. 

Lopez, Xabier/G-5690-2015; Ugalde, Jesus/M-2771-2014; Matxain, Jon M./J-8184-2014; Mercero, Jose M./E-6828-2010 

Lopez, Xabier/0000-0002-2711-3588; Ugalde, Jesus/0000-0001-8980-9751; Matxain, Jon M./0000-0002-6342-0649; Mercero, Jose M./0000-0003-4857-6685 

1097-461x},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@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 = {},

pubstate = {published},

tppubtype = {article}

}

@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 = {},

pubstate = {published},

tppubtype = {article}

}

@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 = {},

pubstate = {published},

tppubtype = {article}

}

@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},

journal = {Journal of Physical Chemistry Letters},

volume = {13},

number = {10},

pages = {2264-2272},

note = {Rogolino, Andrea Claes, Nathalie Cizaurre, Judit Marauri, Aimar Jumbo-Nogales, Alba Lawera, Zuzanna Kruse, Joscha Sanroman-Iglesias, Maria Zarketa, Ibai Calvo, Unai Jimenez-Izal, Elisa Rakovich, Yury P. Bals, Sara Matxain, Jon M. Grzelczak, Marek 

Jimenez-Izal, Elisa/AAB-1990-2019; Matxain, Jon M./J-8184-2014 

Jumbo Nogales, Alba Maria/0000-0002-8556-2891; Kruse, Joscha/0000-0001-9123-2437; Rogolino, Andrea/0000-0001-7632-0658; Matxain, Jon M./0000-0002-6342-0649; Lawera, Zuzanna/0000-0003-4571-8457; Jimenez-Izal, Elisa/0000-0003-1127-2100; Claes, Nathalie/0000-0001-6475-0204},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@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 = {},

pubstate = {published},

tppubtype = {article}

}

@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 = {},

pubstate = {published},

tppubtype = {article}

}

@article{RN410,

title = {Pd-Catalyzed C(sp(2))-H Alkoxycarbonylation of Phenethyl- and Benzylamines with Chloroformates as CO Surrogates},

author = {P. Andrade-Sampedro and J. M. Matxain and A. Correa},

url = {<Go to ISI>://WOS:000624031900001},

issn = {0947-6539},

year  = {2021},

date = {2021-01-01},

journal = {Chemistry-a European Journal},

volume = {27},

number = {18},

pages = {5782-5789},

note = {Andrade-Sampedro, Paula Matxain, Jon M. Correa, Arkaitz 

Correa, Arkaitz/K-5787-2019; Correa, Arkaitz/B-4620-2014; Correa, Arkaitz/GQH-5958-2022; 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 

1521-3765},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@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 = {},

pubstate = {published},

tppubtype = {article}

}

@article{RN408,

title = {Role of Dispersion Interactions in Endohedral TM@(ZnS)(12) Structures},

author = {E. Jimenez-Izal and I. O. Luzuriaga and E. Ramos-Cordoba and J. M. Matxain},

url = {<Go to ISI>://WOS:000670306400040},

doi = {10.1021/acsomega.1c02016},

issn = {2470-1343},

year  = {2021},

date = {2021-01-01},

journal = {Acs Omega},

volume = {6},

number = {25},

pages = {16612-16622},

note = {Jimenez-Izal, Elisa Ortiz de Luzuriaga, Iker Ramos-Cordoba, Eloy Matxain, Jon M. 

Ramos-Cordoba, Eloy/D-2830-2013; Jimenez-Izal, Elisa/AAB-1990-2019; Ortiz de Luzuriaga, Iker/A-8392-2019; Matxain, Jon M./J-8184-2014 

Ramos-Cordoba, Eloy/0000-0002-6558-7821; Ortiz de Luzuriaga, Iker/0000-0001-6475-3472; Matxain, Jon M./0000-0002-6342-0649; Jimenez-Izal, Elisa/0000-0003-1127-2100},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{RN407,

title = {Computational approach to (ZnS)i nanoclusters in ionic liquids},

author = {J. Zubeltzu and J. M. Matxain and E. Rezabal},

url = {<Go to ISI>://WOS:000685537800014},

doi = {10.1103/PhysRevE.104.024604},

issn = {2470-0045},

year  = {2021},

date = {2021-01-01},

journal = {Physical Review E},

volume = {104},

number = {2},

note = {Zubeltzu, Jon Matxain, Jon M. Rezabal, Elixabete 

; Matxain, Jon M./J-8184-2014 

Zubeltzu, Jon/0000-0003-0659-2978; Matxain, Jon M./0000-0002-6342-0649 

2470-0053},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{RN411,

title = {On the Mechanism of Cross-Dehydrogenative Couplings between N-aryl Glycinates and Indoles: A Computational Study},

author = {P. Andrade-Sampedro and A. Correa and J. M. Matxain},

url = {<Go to ISI>://WOS:000582579900025},

doi = {10.1021/acs.joc.0c01816},

issn = {0022-3263},

year  = {2020},

date = {2020-01-01},

journal = {Journal of Organic Chemistry},

volume = {85},

number = {20},

pages = {13133-13140},

note = {Andrade-Sampedro, Paula Correa, Arkaitz Matxain, Jon M. 

Correa, Arkaitz/GQH-5958-2022; Correa, Arkaitz/K-5787-2019; Correa, Arkaitz/B-4620-2014; 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 

1520-6904},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{RN413,

title = {Proton-responsive Ruthenium(II) Catalysts for the Solvolysis of Ammonia-Borane},

author = {V. San Nacianceno and M. A. Garralda and J. M. Matxain and Z. Freixa},

url = {<Go to ISI>://WOS:000529146900013},

doi = {10.1021/acs.organomet.0c00032},

issn = {0276-7333},

year  = {2020},

date = {2020-01-01},

journal = {Organometallics},

volume = {39},

number = {8},

pages = {1238-1248},

note = {San Nacianceno, Virginia Garralda, Maria A. Matxain, Jon M. Freixa, Zoraida 

; Matxain, Jon M./J-8184-2014; Freixa, Zoraida/K-4294-2014 

GARRALDA HUALDE, MARIA ANGELES/0000-0001-6058-0412; Matxain, Jon M./0000-0002-6342-0649; Freixa, Zoraida/0000-0002-2044-2725 

1520-6041},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{RN10,

title = {Enantiospecific Response in Cross-Polarization Solid-State Nuclear Magnetic Resonance of Optically Active Metal Organic Frameworks},

author = {E. San Sebastian and J. Cepeda and U. Huizi-Rayo and A. Terenzi and D. Finkelstein-Shapiro and D. Padro and J. I. Santos and J. M. Matxain and J. M. Ugalde and V. Mujica},

url = {<Go to ISI>://WOS:000580559000022},

doi = {10.1021/jacs.0c04537},

issn = {0002-7863},

year  = {2020},

date = {2020-01-01},

journal = {Journal of the American Chemical Society},

volume = {142},

number = {42},

pages = {17989-17996},

note = {San Sebastian, Eider Cepeda, Javier Huizi-Rayo, Uxua Terenzi, Alessio Finkelstein-Shapiro, Daniel Padro, Daniel Santos, Jose Ignacio Matxain, Jon M. Ugalde, Jesus M. Mujica, Vladimiro 

Santos, José I./AAH-1969-2019; Terenzi, Alessio/K-5525-2019; Ugalde, Jesus/M-2771-2014; Padro, Daniel/AAG-3529-2021; Ruiz, Javier Cepeda/O-9648-2016; Huizi-Rayo, Uxua/ABD-2689-2020; San Sebastian, Eider/S-2637-2018; Mujica, Vladimiro/GNM-9273-2022; Matxain, Jon M./J-8184-2014 

Santos, José I./0000-0002-5199-2332; Terenzi, Alessio/0000-0001-9751-1373; Ugalde, Jesus/0000-0001-8980-9751; Padro, Daniel/0000-0002-3932-9351; Ruiz, Javier Cepeda/0000-0002-0147-1360; Huizi-Rayo, Uxua/0000-0002-2162-9516; San Sebastian, Eider/0000-0001-9263-9626; Mujica, Vladimiro/0000-0002-5237-4851; Finkelstein Shapiro, Daniel/0000-0001-8015-5376; Matxain, Jon M./0000-0002-6342-0649 

1520-5126},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{RN412,

title = {The role of CT excitations in PDI aggregates},

author = {M. Zubiria-Ulacia and J. M. Matxain and D. Casanova},

url = {<Go to ISI>://WOS:000552193500007},

doi = {10.1039/d0cp02344b},

issn = {1463-9076},

year  = {2020},

date = {2020-01-01},

journal = {Physical Chemistry Chemical Physics},

volume = {22},

number = {28},

pages = {15908-15918},

note = {Zubiria-Ulacia, Maria Matxain, Jon M. Casanova, David 

Zubiria-Ulacia, Maria/AAB-4460-2019; Casanova, David/F-9752-2011; Matxain, Jon M./J-8184-2014 

Zubiria-Ulacia, Maria/0000-0003-4795-9107; Casanova, David/0000-0002-8893-7089; Matxain, Jon M./0000-0002-6342-0649 

1463-9084},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@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},

journal = {Acs Applied Polymer Materials},

volume = {1},

number = {9},

pages = {2472-2481},

note = {Erice, Ainara Azcune, Itxaso Ruiz de Luzuriaga, Alaitz Ruiperez, Fernando Irigoyen, Mikel Mattin Matxain, Jon Maria Asua, Jose Grande, Hans-Jurgen 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; Irigoyen, Mikel/0000-0002-9828-4309; Azcune, Itxaso/0000-0001-6263-7419; Rekondo, Alaitz/0000-0003-2195-5167; Ruiz de Luzuriaga, Alaitz/0000-0001-6319-0532},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{RN415,

title = {MALDI-ToF MS Study of Macrocyclic Polyethers Generated by Electrophilic Zwitterionic Ring Expansion Polymerization of Monosubstituted Epoxides with B(C6F5)(3)},

author = {F. M. Haque and C. M. Schexnayder and J. M. Matxain and F. Barroso-Bujans and S. M. Grayson},

url = {<Go to ISI>://WOS:000485832000004},

doi = {10.1021/acs.macromol.9b01050},

issn = {0024-9297},

year  = {2019},

date = {2019-01-01},

journal = {Macromolecules},

volume = {52},

number = {17},

pages = {6369-6381},

note = {Haque, Farihah M. Schexnayder, Ca'ra M. Matxain, Jon M. Barroso-Bujans, Fabienne Grayson, Scott M. 

Barroso-Bujans, Fabienne/GPG-0820-2022; Barroso-Bujans, Fabienne/A-3529-2013; Matxain, Jon M./J-8184-2014 

Barroso-Bujans, Fabienne/0000-0002-9591-5646; Barroso-Bujans, Fabienne/0000-0002-9591-5646; Matxain, Jon M./0000-0002-6342-0649; Haque, Farihah/0000-0002-5029-7442 

1520-5835},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@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},

journal = {Journal of Organic Chemistry},

volume = {84},

number = {7},

pages = {4200-4210},

note = {Irigoyen, Mikel Fernandez, Andrea Ruiz, Amaia Ruiperez, Fernando Matxain, Jon M. 

Matxain, Jon M./J-8184-2014; Ruiperez, Fernando/H-9744-2013 

Matxain, Jon M./0000-0002-6342-0649; Ruiperez, Fernando/0000-0002-5585-245X; Irigoyen, Mikel/0000-0002-9828-4309 

1520-6904},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@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},

journal = {Polymers},

volume = {11},

number = {12},

note = {Irigoyen, Mikel Matxain, Jon M. Ruiperez, Fernando 

Matxain, Jon M./J-8184-2014; Ruiperez, Fernando/H-9744-2013 

Matxain, Jon M./0000-0002-6342-0649; Ruiperez, Fernando/0000-0002-5585-245X; Irigoyen, Mikel/0000-0002-9828-4309 

2073-4360},

keywords = {},

pubstate = {published},

tppubtype = {article}

}