Kimika Teorikoa

@article{RN344,

title = {Flavin-mediated photoactivation of Pt(iv) anticancer complexes: computational insights on the catalytic mechanism},

author = {S. Scoditti and E. Dabbish and G. E. Pieslinger and E. Rezabal and X. Lopez and E. Sicilia and L. Salassa},

url = {<Go to ISI>://WOS:000758346800001},

doi = {10.1039/d1cp05507k},

issn = {1463-9076},

year  = {2022},

date = {2022-01-01},

journal = {Physical Chemistry Chemical Physics},

volume = {24},

number = {9},

pages = {5323-5329},

note = {Scoditti, Stefano Dabbish, Eslam Pieslinger, German E. Rezabal, Elixabete Lopez, Xabier Sicilia, Emilia Salassa, Luca 

Lopez, Xabier/G-5690-2015; Salassa, Luca/M-7300-2014; Pieslinger, German/N-5741-2015 

Lopez, Xabier/0000-0002-2711-3588; dabbish, eslam/0000-0002-3601-0193; Salassa, Luca/0000-0002-2112-9095; Scoditti, Stefano/0000-0001-9384-703X; Pieslinger, German/0000-0003-1334-5211 

1463-9084},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{RN5,

title = {Experiment and Theory Clarify: Sc+ Receives One Oxygen Atom from SO2 to Form ScO+, which Proves to be a Catalyst for the Hidden Oxygen-Exchange with SO2},

author = {J. M. Mercero and E. Rezabal and J. M. Ugalde and T. Weiske and J. L. Li},

url = {<Go to ISI>://WOS:000744630700001},

doi = {10.1002/cphc.202100773},

issn = {1439-4235},

year  = {2022},

date = {2022-01-01},

journal = {Chemphyschem},

volume = {23},

number = {5},

note = {Mercero, Jose M. Rezabal, Elixabete Ugalde, Jesus M. Weiske, Thomas Li, Jilai 

Mercero, Jose/E-6828-2010; Ugalde, Jesus/M-2771-2014; Li, Jilai/M-5210-2013 

Mercero, Jose/0000-0003-4857-6685; Ugalde, Jesus/0000-0001-8980-9751; Li, Jilai/0000-0002-3363-9164; Weiske, Thomas/0000-0003-4756-2548 

1439-7641},

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{RN352,

title = {Enhancing the Photocatalytic Conversion of Pt(IV) Substrates by Flavoprotein Engineering},

author = {J. Gurruchaga-Pereda and V. Martinez-Martinez and E. Formoso and O. Azpitarte and E. Rezabal and X. Lopez and A. L. Cortajarena and L. Salassa},

url = {<Go to ISI>://WOS:000655640200005},

doi = {10.1021/acs.jpclett.1c00802},

issn = {1948-7185},

year  = {2021},

date = {2021-01-01},

journal = {Journal of Physical Chemistry Letters},

volume = {12},

number = {19},

pages = {4504-4508},

note = {Gurruchaga-Pereda, Juan Martinez-Martinez, Virginia Formoso, Elena Azpitarte, Oksana Rezabal, Elixabete Lopez, Xabier Cortajarena, Aitziber L. Salassa, Luca 

Martinez-Martinez, Virginia/L-5440-2013; Lopez, Xabier/G-5690-2015; Formoso, Elena/E-6834-2010; Salassa, Luca/M-7300-2014; Cortajarena, Aitziber/J-6202-2012 

Martinez-Martinez, Virginia/0000-0001-7551-3714; Lopez, Xabier/0000-0002-2711-3588; Formoso, Elena/0000-0002-7106-3717; Salassa, Luca/0000-0002-2112-9095; Azpitarte, Oksana/0000-0003-0874-6424; Cortajarena, Aitziber/0000-0002-5331-114X; Gurruchaga-Pereda, Juan/0009-0005-6646-7943},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{RN441,

title = {Comparison of Chemical and Interpretative Methods: the Carbon-Boron pi-Bond as a Test Case**},

author = {R. Gupta and E. Rezabal and G. Hasrack and G. Frison},

url = {<Go to ISI>://WOS:000591338100001},

doi = {10.1002/chem.202001945},

issn = {0947-6539},

year  = {2020},

date = {2020-01-01},

journal = {Chemistry-a European Journal},

volume = {26},

number = {71},

pages = {17230-17241},

note = {Gupta, Radhika Rezabal, Elixabete Hasrack, Golshid Frison, Gilles 

Frison, Gilles/B-7458-2011 

Frison, Gilles/0000-0002-5677-3569; Gupta, Radhika/0000-0003-1562-7810 

1521-3765},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{RN442,

title = {Lignin solvation by ionic liquids: The role of cation},

author = {J. Zubeltzu and E. Formoso and E. Rezabal},

url = {<Go to ISI>://WOS:000533612700043},

doi = {10.1016/j.molliq.2020.112588},

issn = {0167-7322},

year  = {2020},

date = {2020-01-01},

journal = {Journal of Molecular Liquids},

volume = {303},

note = {Zubeltzu, Jon Formoso, Elena Rezabal, Elixabete 

Formoso, Elena/E-6834-2010 

Formoso, Elena/0000-0002-7106-3717; REZABAL ASTIGARRAGA, ELIXABETE/0000-0003-0397-6140 

1873-3166},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{RN359,

title = {Flavin Bioorthogonal Photocatalysis Toward Platinum Substrates},

author = {J. Gurruchaga-Pereda and V. Martinez-Martinez and E. Rezabal and X. Lopez and C. Garino and F. Mancin and A. L. Cortajarena and L. Salassa},

url = {<Go to ISI>://WOS:000506725100022},

doi = {10.1021/acscatal.9b02863},

issn = {2155-5435},

year  = {2020},

date = {2020-01-01},

journal = {Acs Catalysis},

volume = {10},

number = {1},

pages = {187-196},

note = {Gurruchaga-Pereda, Juan Martinez-Martinez, Virginia Rezabal, Elixabete Lopez, Xabier Garino, Claudio Mancin, Fabrizio Cortajarena, Aitziber L. Salassa, Luca 

Mancin, Fabrizio/A-5746-2008; Lopez, Xabier/G-5690-2015; Garino, Claudio/AAT-2089-2021; Garino, Claudio/B-5669-2014; Martinez-Martinez, Virginia/L-5440-2013; Salassa, Luca/M-7300-2014; Cortajarena, Aitziber/J-6202-2012 

Mancin, Fabrizio/0000-0003-0786-0364; Lopez, Xabier/0000-0002-2711-3588; Garino, Claudio/0000-0002-7854-6076; Garino, Claudio/0000-0002-7854-6076; Martinez-Martinez, Virginia/0000-0001-7551-3714; Salassa, Luca/0000-0002-2112-9095; REZABAL ASTIGARRAGA, ELIXABETE/0000-0003-0397-6140; Gurruchaga-Pereda, Juan/0009-0005-6646-7943; Cortajarena, Aitziber/0000-0002-5331-114X},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{RN443,

title = {Revised Theoretical Model on Enantiocontrol in Phosphoric Acid Catalyzed H-Transfer Hydrogenation of Quinoline},

author = {J. Pastor and E. Rezabal and A. Voituriez and J. F. Betzer and A. Marinetti and G. Frison},

url = {<Go to ISI>://WOS:000426803300028},

doi = {10.1021/acs.joc.7b03248},

issn = {0022-3263},

year  = {2018},

date = {2018-01-01},

journal = {Journal of Organic Chemistry},

volume = {83},

number = {5},

pages = {2779-2787},

note = {Pastor, Julien Rezabal, Elixabete Voituriez, Arnaud Betzer, Jean-Francois Marinetti, Angela Frison, Gilles 

ASTIGARRAGA, ELIXABETE REZABAL/X-6011-2019; Voituriez, Arnaud/A-2313-2017; Frison, Gilles/B-7458-2011; BETZER, JEAN-FRANCOIS/P-4631-2016 

ASTIGARRAGA, ELIXABETE REZABAL/0000-0003-0397-6140; Voituriez, Arnaud/0000-0002-7330-0819; Frison, Gilles/0000-0002-5677-3569; BETZER, JEAN-FRANCOIS/0000-0003-2182-2639},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{RN368,

title = {Riboflavin as a bioorthogonal photocatalyst for the activation of a Pt-IV prodrug},

author = {S. Alonso-de Castro and E. Ruggiero and A. Ruiz-de-Angulo and E. Rezabal and J. C. Mareque-Rivas and X. Lopez and F. Lopez-Gallego and L. Salassa},

url = {<Go to ISI>://WOS:000402384900055},

doi = {10.1039/c7sc01109a},

issn = {2041-6520},

year  = {2017},

date = {2017-01-01},

journal = {Chemical Science},

volume = {8},

number = {6},

pages = {4619-4625},

note = {Alonso-de Castro, Silvia Ruggiero, Emmanuel Ruiz-de-Angulo, Ane Rezabal, Elixabete Mareque-Rivas, Juan C. Lopez, Xabier Lopez-Gallego, Fernando Salassa, Luca 

Castro, Silvia Alonso-de/AAA-5260-2020; Salassa, Luca/M-7300-2014; Rivas, Juan Mareque/M-6171-2014; ASTIGARRAGA, ELIXABETE REZABAL/X-6011-2019; Lopez, Xabier/G-5690-2015; de Angulo, Ane Ruiz/I-3867-2016; Gallego, Fernando López/D-3462-2014; biomaGUNE, CIC/J-9136-2014 

Salassa, Luca/0000-0002-2112-9095; Rivas, Juan Mareque/0000-0002-7405-3338; ASTIGARRAGA, ELIXABETE REZABAL/0000-0003-0397-6140; Lopez, Xabier/0000-0002-2711-3588; de Angulo, Ane Ruiz/0000-0001-6581-4038; Gallego, Fernando López/0000-0003-0031-1880; Alonso-de Castro, Silvia/0000-0001-5261-8839; biomaGUNE, CIC/0000-0001-7690-0660 

2041-6539},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{RN114,

title = {The trans Effect in Palladium Phosphine Sulfonate Complexes},

author = {E. Rezabal and J. M. Ugalde and G. Frenking},

url = {<Go to ISI>://WOS:000413131300030},

doi = {10.1021/acs.jpca.7b06856},

issn = {1089-5639},

year  = {2017},

date = {2017-01-01},

journal = {Journal of Physical Chemistry A},

volume = {121},

number = {40},

pages = {7709-7716},

note = {Rezabal, E. Ugalde, J. M. Frenking, G. 

ASTIGARRAGA, ELIXABETE REZABAL/X-6011-2019; Ugalde, Jesus/M-2771-2014 

ASTIGARRAGA, ELIXABETE REZABAL/0000-0003-0397-6140; Ugalde, Jesus/0000-0001-8980-9751},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{RN42,

title = {Homopolymerization of Ethylene by Palladium Phosphine Sulfonate Catalysts: The Role of Structural and Environmental Factors},

author = {E. Rezabal and J. M. Asua and J. M. Ugalde},

url = {<Go to ISI>://WOS:000347864300046},

doi = {10.1021/om5011947},

issn = {0276-7333},

year  = {2015},

date = {2015-01-01},

journal = {Organometallics},

volume = {34},

number = {1},

pages = {373-380},

note = {Rezabal, Elixabete Asua, Jose M. Ugalde, Jesus M. 

Ugalde, Jesus/M-2771-2014; ASTIGARRAGA, ELIXABETE REZABAL/X-6011-2019; Asua, Jose M/B-2288-2015 

Ugalde, Jesus/0000-0001-8980-9751; ASTIGARRAGA, ELIXABETE REZABAL/0000-0003-0397-6140; 

1520-6041},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{RN444,

title = {Ionic liquids as solvents of polar and non-polar solutes: affinity and coordination},

author = {E. Rezabal and T. Schafer},

url = {<Go to ISI>://WOS:000355633400035},

doi = {10.1039/c5cp01774b},

issn = {1463-9076},

year  = {2015},

date = {2015-01-01},

journal = {Physical Chemistry Chemical Physics},

volume = {17},

number = {22},

pages = {14588-14597},

note = {Rezabal, Elixabete Schaefer, Thomas 

Schäfer, Thomas/G-3201-2015; ASTIGARRAGA, ELIXABETE REZABAL/X-6011-2019 

Astigarraga, elixabete rezabal/0000-0003-0397-6140 

1463-9084},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{RN445,

title = {DNA Aptamers are Functional Molecular Recognition Sensors in Protic Ionic Liquids},

author = {I. Machado and V. C. Ozalp and E. Rezabal and T. Schafer},

url = {<Go to ISI>://WOS:000341630500030},

doi = {10.1002/chem.201403354},

issn = {0947-6539},

year  = {2014},

date = {2014-01-01},

journal = {Chemistry-a European Journal},

volume = {20},

number = {37},

pages = {11820-11825},

note = {Machado, Isabel Cengiz Oezalp, Veli Rezabal, Elixabete Schaefer, Thomas 

ASTIGARRAGA, ELIXABETE REZABAL/X-6011-2019; Schäfer, Thomas/G-3201-2015; Özalp, Veli Cengiz/B-2940-2009 

ASTIGARRAGA, ELIXABETE REZABAL/0000-0003-0397-6140; Özalp, Veli Cengiz/0000-0002-7659-5990 

1521-3765},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{RN55,

title = {Mapping the affinity of aluminum(III) for biophosphates: interaction mode and binding affinity in 1:1 complexes},

author = {N. B. Luque and J. I. Mujika and E. Rezabal and J. M. Ugalde and X. Lopez},

url = {<Go to ISI>://WOS:000341359700038},

doi = {10.1039/c4cp02770a},

issn = {1463-9076},

year  = {2014},

date = {2014-01-01},

journal = {Physical Chemistry Chemical Physics},

volume = {16},

number = {37},

pages = {20107-20119},

note = {Luque, Noelia B. Mujika, Jon I. Rezabal, Elixabete Ugalde, Jesus M. Lopez, Xabier 

Luque, Noelia B/H-3736-2013; Ugalde, Jesus/M-2771-2014; Lopez, Xabier/G-5690-2015; ASTIGARRAGA, ELIXABETE REZABAL/X-6011-2019; Mujika, Jon/H-7132-2012 

Ugalde, Jesus/0000-0001-8980-9751; Lopez, Xabier/0000-0002-2711-3588; ASTIGARRAGA, ELIXABETE REZABAL/0000-0003-0397-6140; Mujika, Jon/0000-0002-4584-7497 

1463-9084},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{RN52,

title = {Aluminium in Biological Environments: A Computational Approach},

author = {J. I. Mujika and E. Rezabal and J. M. Mercero and F. Ruiperez and D. Costa and J. M. Ugalde and X. Lopez},

url = {<Go to ISI>://WOS:000219037100002},

doi = {10.5936/csbj.201403002},

issn = {2001-0370},

year  = {2014},

date = {2014-01-01},

journal = {Computational and Structural Biotechnology Journal},

volume = {9},

number = {15},

note = {Mujika, Jon I. Rezabal, Elixabete Mercero, Jose M. Ruiperez, Fernando Costa, Dominique Ugalde, Jesus M. Lopez, Xabier 

Ugalde, Jesus/M-2771-2014; ASTIGARRAGA, ELIXABETE REZABAL/X-6011-2019; Ruiperez, Fernando/H-9744-2013; Mercero, Jose/E-6828-2010; Lopez, Xabier/G-5690-2015; Mujika, Jon/H-7132-2012 

Ugalde, Jesus/0000-0001-8980-9751; ASTIGARRAGA, ELIXABETE REZABAL/0000-0003-0397-6140; Ruiperez, Fernando/0000-0002-5585-245X; Mercero, Jose/0000-0003-4857-6685; Lopez, Xabier/0000-0002-2711-3588; Mujika, Jon/0000-0002-4584-7497},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{RN446,

title = {First Principle Approach to Solvation by Methylimidazolium-Based Ionic Liquids},

author = {E. Rezabal and T. Schafer},

url = {<Go to ISI>://WOS:000313920300010},

doi = {10.1021/jp305379s},

issn = {1520-6106},

year  = {2013},

date = {2013-01-01},

journal = {Journal of Physical Chemistry B},

volume = {117},

number = {2},

pages = {553-562},

note = {Rezabal, Elixabete Schaefer, Thomas 

ASTIGARRAGA, ELIXABETE REZABAL/X-6011-2019; Schäfer, Thomas/G-3201-2015 

Astigarraga, elixabete rezabal/0000-0003-0397-6140;},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{RN119,

title = {Quantum chemical study of the catalytic activation of methane by copper oxide and copper hydroxide cations},

author = {E. Rezabal and F. Ruiperez and J. M. Ugalde},

url = {<Go to ISI>://WOS:000312462400012},

doi = {10.1039/c2cp43544f},

issn = {1463-9076},

year  = {2013},

date = {2013-01-01},

journal = {Physical Chemistry Chemical Physics},

volume = {15},

number = {4},

pages = {1148-1153},

note = {Rezabal, E. Ruiperez, F. Ugalde, J. M. 

Ruiperez, Fernando/H-9744-2013; ASTIGARRAGA, ELIXABETE REZABAL/X-6011-2019; Ugalde, Jesus/M-2771-2014 

Ruiperez, Fernando/0000-0002-5585-245X; ASTIGARRAGA, ELIXABETE REZABAL/0000-0003-0397-6140; Ugalde, Jesus/0000-0001-8980-9751 

1463-9084},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{RN126,

title = {A QM/MM study of the complexes formed by aluminum and iron with serum transferrin at neutral and acidic pH},

author = {J. I. Mujika and X. Lopez and E. Rezabal and R. Castillo and S. Marti and V. Moliner and J. M. Ugalde},

url = {<Go to ISI>://WOS:000297565500012},

doi = {10.1016/j.jinorgbio.2011.07.019},

issn = {0162-0134},

year  = {2011},

date = {2011-01-01},

journal = {Journal of Inorganic Biochemistry},

volume = {105},

number = {11},

pages = {1446-1456},

note = {Mujika, J. I. Lopez, X. Rezabal, E. Castillo, R. Marti, S. Moliner, V. Ugalde, J. M. 

ASTIGARRAGA, ELIXABETE REZABAL/X-6011-2019; Mujika, Jon/H-7132-2012; Castillo, Raquel/G-7769-2015; Martí, Sergio/G-7844-2015; Moliner, Vicent/D-5499-2015; Ugalde, Jesus/M-2771-2014; Lopez, Xabier/G-5690-2015 

ASTIGARRAGA, ELIXABETE REZABAL/0000-0003-0397-6140; Mujika, Jon/0000-0002-4584-7497; Castillo, Raquel/0000-0003-1597-1136; Martí, Sergio/0000-0002-1087-7143; Moliner, Vicent/0000-0002-3665-3391; Ugalde, Jesus/0000-0001-8980-9751; Lopez, Xabier/0000-0002-2711-3588 

1873-3344 

Si},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{RN432,

title = {Quantum chemical assessment of the binding energy of CuO+},

author = {E. Rezabal and J. Gauss and J. M. Matxain and R. Berger and M. Diefenbach and M. C. Holthausen},

url = {<Go to ISI>://WOS:000287327400024},

doi = {10.1063/1.3537797},

issn = {0021-9606},

year  = {2011},

date = {2011-01-01},

journal = {Journal of Chemical Physics},

volume = {134},

number = {6},

note = {Rezabal, Elixabete Gauss, Juergen Matxain, Jon M. Berger, Robert Diefenbach, Martin Holthausen, Max C. 

ASTIGARRAGA, ELIXABETE REZABAL/X-6011-2019; Matxain, Jon M./J-8184-2014; Holthausen, Max C/A-7709-2008 

ASTIGARRAGA, ELIXABETE REZABAL/0000-0003-0397-6140; Matxain, Jon M./0000-0002-6342-0649; 

1089-7690},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{RN90,

title = {Quantum Monte Carlo study of the ground state and low-lying excited states of the scandium dimer (vol 128, 194315, 2008)},

author = {J. M. Matxain and E. Rezabal and X. Lopez and J. M. Ugalde and L. Gagliardi},

url = {<Go to ISI>://WOS:000276972600050},

doi = {10.1063/1.3372793},

issn = {0021-9606},

year  = {2010},

date = {2010-01-01},

journal = {Journal of Chemical Physics},

volume = {132},

number = {13},

note = {Matxain, Jon M. Rezabal, Elixabete Lopez, Xabier Ugalde, Jesus M. Gagliardi, Laura 

Ugalde, Jesus/M-2771-2014; Matxain, Jon M./J-8184-2014; Lopez, Xabier/G-5690-2015; Gagliardi, Laura/S-3023-2017 

Ugalde, Jesus/0000-0001-8980-9751; Matxain, Jon M./0000-0002-6342-0649; Lopez, Xabier/0000-0002-2711-3588; REZABAL ASTIGARRAGA, ELIXABETE/0000-0003-0397-6140; Gagliardi, Laura/0000-0001-5227-1396},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{RN134,

title = {Ab Initio Study of Microsolvated Al3+-Aromatic Amino Acid Complexes},

author = {J. Larrucea and E. Rezabal and T. Marino and N. Russo and J. M. Ugalde},

url = {<Go to ISI>://WOS:000279507800025},

doi = {10.1021/jp101874p},

issn = {1520-6106},

year  = {2010},

date = {2010-01-01},

journal = {Journal of Physical Chemistry B},

volume = {114},

number = {27},

pages = {9017-9022},

note = {Larrucea, J. Rezabal, E. Marino, T. Russo, N. Ugalde, J. M. 

Larrucea, Julen/A-6084-2012; Nino, Russo/AAF-6401-2019; ASTIGARRAGA, ELIXABETE REZABAL/X-6011-2019; Ugalde, Jesus/M-2771-2014 

Larrucea, Julen/0000-0003-0582-9259; ASTIGARRAGA, ELIXABETE REZABAL/0000-0003-0397-6140; Ugalde, Jesus/0000-0001-8980-9751; Nino, Russo/0000-0003-3826-3386; Marino, Tiziana/0000-0003-2386-9078 

1520-5207},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{RN99,

title = {Quantum Monte Carlo study of the ground state and low-lying excited states of the scandium dimer},

author = {J. M. Matxain and E. Rezabal and X. Lopez and J. M. Ugalde and L. Gagliardi},

url = {<Go to ISI>://WOS:000256205200028},

doi = {10.1063/1.2920480},

issn = {0021-9606},

year  = {2008},

date = {2008-01-01},

journal = {Journal of Chemical Physics},

volume = {128},

number = {19},

note = {Matxain, Jon M. Rezabal, Elixabete Lopez, Xabier Ugalde, Jesus M. Gagliardi, Laura 

Lopez, Xabier/G-5690-2015; Matxain, Jon M./J-8184-2014; Ugalde, Jesus/M-2771-2014; ASTIGARRAGA, ELIXABETE REZABAL/X-6011-2019; Gagliardi, Laura/S-3023-2017 

Lopez, Xabier/0000-0002-2711-3588; Matxain, Jon M./0000-0002-6342-0649; Ugalde, Jesus/0000-0001-8980-9751; ASTIGARRAGA, ELIXABETE REZABAL/0000-0003-0397-6140; Gagliardi, Laura/0000-0001-5227-1396},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{RN102,

title = {Protein side chains facilitate Mg/Al exchange in model protein binding sites},

author = {E. Rezabal and J. M. Mercero and X. Lopez and J. M. Ugalde},

url = {<Go to ISI>://WOS:000250253500014},

doi = {10.1002/cphc.200700335},

issn = {1439-4235},

year  = {2007},

date = {2007-01-01},

journal = {Chemphyschem},

volume = {8},

number = {14},

pages = {2119-2124},

note = {Rezabal, Elixabete Mercero, Jose M. Lopez, Xabier Ugalde, Jesus M. 

Mercero, Jose/E-6828-2010; ASTIGARRAGA, ELIXABETE REZABAL/X-6011-2019; Ugalde, Jesus/M-2771-2014; Lopez, Xabier/G-5690-2015 

Mercero, Jose/0000-0003-4857-6685; ASTIGARRAGA, ELIXABETE REZABAL/0000-0003-0397-6140; Ugalde, Jesus/0000-0001-8980-9751; Lopez, Xabier/0000-0002-2711-3588 

1439-7641},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{RN103,

title = {A theoretical study of the principles regulating the specificity for Al(III) against Mg(II) in protein cavities},

author = {E. Rezabal and J. M. Mercero and X. Lopez and J. M. Ugalde},

url = {<Go to ISI>://WOS:000249966200003},

doi = {10.1016/j.jinorgbio.2007.06.010},

issn = {0162-0134},

year  = {2007},

date = {2007-01-01},

journal = {Journal of Inorganic Biochemistry},

volume = {101},

number = {9},

pages = {1192-1200},

note = {Rezabal, Elixabete Mercero, Jose M. Lopez, Xabier Ugalde, Jesus M. 

7th Keele Meeting on Aluminium 

Feb 24-28, 2007 

Yucatan, MEXICO 

Lopez, Xabier/G-5690-2015; ASTIGARRAGA, ELIXABETE REZABAL/X-6011-2019; Mercero, Jose/E-6828-2010; Ugalde, Jesus/M-2771-2014 

Lopez, Xabier/0000-0002-2711-3588; ASTIGARRAGA, ELIXABETE REZABAL/0000-0003-0397-6140; Mercero, Jose/0000-0003-4857-6685; Ugalde, Jesus/0000-0001-8980-9751 

1873-3344},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{RN143,

title = {Complexation of Al-III by aromatic amino acids in the gas phase},

author = {E. Rezabal and T. Marino and J. M. Mercero and N. Russo and J. M. Ugalde},

url = {<Go to ISI>://WOS:000248345200030},

doi = {10.1021/ic7004776},

issn = {0020-1669},

year  = {2007},

date = {2007-01-01},

journal = {Inorganic Chemistry},

volume = {46},

number = {16},

pages = {6413-6419},

note = {Rezabal, E. Marino, T. Mercero, J. M. Russo, N. Ugalde, J. M. 

Ugalde, Jesus/M-2771-2014; Mercero, Jose/E-6828-2010; Nino, Russo/AAF-6401-2019; ASTIGARRAGA, ELIXABETE REZABAL/X-6011-2019 

Ugalde, Jesus/0000-0001-8980-9751; Mercero, Jose/0000-0003-4857-6685; ASTIGARRAGA, ELIXABETE REZABAL/0000-0003-0397-6140; Nino, Russo/0000-0003-3826-3386; Marino, Tiziana/0000-0003-2386-9078 

1520-510x},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{RN142,

title = {Assessment of approximate density functional methods for the study of the interactions of Al(III) with aromatic amino acids},

author = {E. Rezabal and T. Marino and J. M. Mercero and N. Russo and J. M. Ugalde},

url = {<Go to ISI>://WOS:000249454500017},

doi = {10.1021/ct700027n},

issn = {1549-9618},

year  = {2007},

date = {2007-01-01},

journal = {Journal of Chemical Theory and Computation},

volume = {3},

number = {5},

pages = {1830-1836},

note = {Rezabal, E. Marino, T. Mercero, J. M. Russo, N. Ugalde, J. M. 

Ugalde, Jesus/M-2771-2014; ASTIGARRAGA, ELIXABETE REZABAL/X-6011-2019; Nino, Russo/AAF-6401-2019; Mercero, Jose/E-6828-2010 

Ugalde, Jesus/0000-0001-8980-9751; ASTIGARRAGA, ELIXABETE REZABAL/0000-0003-0397-6140; Mercero, Jose/0000-0003-4857-6685; Marino, Tiziana/0000-0003-2386-9078; Nino, Russo/0000-0003-3826-3386 

1549-9626},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{RN148,

title = {A study of the coordination shell of aluminum(III) and magnesium(II) in model protein of the complex formation and environments: Thermodynamics metal exchange reactions},

author = {E. Rezabal and J. M. Mercero and X. Lopez and J. M. Ugalde},

url = {<Go to ISI>://WOS:000236059800007},

doi = {10.1016/j.jinorgbio.2005.12.007},

issn = {0162-0134},

year  = {2006},

date = {2006-01-01},

journal = {Journal of Inorganic Biochemistry},

volume = {100},

number = {3},

pages = {374-384},

note = {Rezabal, E Mercero, JM Lopez, X Ugalde, JM 

Ugalde, Jesus/M-2771-2014; Lopez, Xabier/G-5690-2015; Mercero, Jose/E-6828-2010; ASTIGARRAGA, ELIXABETE REZABAL/X-6011-2019 

Ugalde, Jesus/0000-0001-8980-9751; Lopez, Xabier/0000-0002-2711-3588; Mercero, Jose/0000-0003-4857-6685; ASTIGARRAGA, ELIXABETE REZABAL/0000-0003-0397-6140 

1873-3344},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{RN158,

title = {The first solvation shell of aluminum(III) and magnesium(II) cations in a protein model environment},

author = {J. M. Mercero and J. M. Matxain and E. Rezabal and X. Lopez and J. M. Ugalde},

url = {<Go to ISI>://WOS:000221181700009},

doi = {10.1002/qua.20075},

issn = {0020-7608},

year  = {2004},

date = {2004-01-01},

journal = {International Journal of Quantum Chemistry},

volume = {98},

number = {4},

pages = {409-424},

note = {Mercero, JM Matxain, JM Rezabal, E Lopez, X Ugalde, JM 

Theoretical Biophysics Symposium 

Mar, 2003 

Donosita, SPAIN 

ASTIGARRAGA, ELIXABETE REZABAL/X-6011-2019; Matxain, Jon M./J-8184-2014; Mercero, Jose/E-6828-2010; Ugalde, Jesus/M-2771-2014; Lopez, Xabier/G-5690-2015 

ASTIGARRAGA, ELIXABETE REZABAL/0000-0003-0397-6140; Matxain, Jon M./0000-0002-6342-0649; Mercero, Jose/0000-0003-4857-6685; Ugalde, Jesus/0000-0001-8980-9751; Lopez, Xabier/0000-0002-2711-3588 

1097-461x},

keywords = {},

pubstate = {published},

tppubtype = {article}

}