Kimika Teorikoa

@article{RN116,

title = {Exact exchange-correlation functional for the infinitely stretched hydrogen molecule},

author = {E. Matito and D. Casanova and X. Lopez and J. M. Ugalde},

url = {<Go to ISI>://WOS:000382131900001},

doi = {10.1007/s00214-016-1982-x},

issn = {1432-881X},

year  = {2016},

date = {2016-01-01},

journal = {Theoretical Chemistry Accounts},

volume = {135},

number = {9},

note = {Matito, E. Casanova, D. Lopez, X. Ugalde, J. M. 

Casanova, David/F-9752-2011; Matito, Eduard/A-6532-2009; Lopez, Xabier/G-5690-2015; Ugalde, Jesus/M-2771-2014 

Casanova, David/0000-0002-8893-7089; Matito, Eduard/0000-0001-6895-4562; Lopez, Xabier/0000-0002-2711-3588; Ugalde, Jesus/0000-0001-8980-9751 

1432-2234},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{RN115,

title = {The electron-pair density distribution of the (1,3)Pi(u) excited states of H-2},

author = {J. M. Mercero and M. Rodriguez-Mayorga and E. Matito and X. Lopez and J. M. Ugalde},

url = {<Go to ISI>://WOS:000390320300003},

doi = {10.1139/cjc-2016-0203},

issn = {0008-4042},

year  = {2016},

date = {2016-01-01},

journal = {Canadian Journal of Chemistry},

volume = {94},

number = {12},

pages = {998-1001},

note = {Mercero, J. M. Rodriguez-Mayorga, M. Matito, E. Lopez, X. Ugalde, J. M. 

Lopez, Xabier/G-5690-2015; Matito, Eduard/A-6532-2009; Ugalde, Jesus/M-2771-2014; Mercero, Jose/E-6828-2010; Rodriguez Mayorga, Mauricio/AHB-2658-2022 

Lopez, Xabier/0000-0002-2711-3588; Matito, Eduard/0000-0001-6895-4562; Ugalde, Jesus/0000-0001-8980-9751; Mercero, Jose/0000-0003-4857-6685; Rodriguez Mayorga, Mauricio/0000-0003-0869-9787 

1480-3291 

Si},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{RN37,

title = {The Bond Order of C-2 from a Strictly N-Representable Natural Orbital Energy Functional Perspective},

author = {M. Piris and X. Lopez and J. M. Ugalde},

url = {<Go to ISI>://WOS:000372526500028},

doi = {10.1002/chem.201504491},

issn = {0947-6539},

year  = {2016},

date = {2016-01-01},

journal = {Chemistry-a European Journal},

volume = {22},

number = {12},

pages = {4109-4115},

note = {Piris, Mario Lopez, Xabier Ugalde, Jesus M. 

Piris, Mario/E-7406-2010; Ugalde, Jesus/M-2771-2014; Lopez, Xabier/G-5690-2015 

Piris, Mario/0000-0003-0222-2953; Ugalde, Jesus/0000-0001-8980-9751; Lopez, Xabier/0000-0002-2711-3588 

1521-3765},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{RN117,

title = {Ceramide increases free volume voids in DPPC membranes},

author = {E. Axpe and A. B. Garcia-Arribas and J. I. Mujika and D. Merida and A. Alonso and X. Lopez and J. A. Garcia and J. M. Ugalde and F. M. Goni and F. Plazaola},

url = {<Go to ISI>://WOS:000354964900045},

doi = {10.1039/c5ra05142h},

issn = {2046-2069},

year  = {2015},

date = {2015-01-01},

journal = {Rsc Advances},

volume = {5},

number = {55},

pages = {44282-44290},

note = {Axpe, E. Garcia-Arribas, A. B. Mujika, J. I. Merida, D. Alonso, A. Lopez, X. Garcia, J. A. Ugalde, J. M. Goni, F. M. Plazaola, F. 

Alonso, Alicia/E-5310-2012; Lopez, Xabier/G-5690-2015; Goni, Felix M/M-5425-2015; Mujika, Jon/H-7132-2012; Ugalde, Jesus/M-2771-2014 

Alonso, Alicia/0000-0002-2730-7470; Lopez, Xabier/0000-0002-2711-3588; Goni, Felix M/0000-0001-6270-9216; Mujika, Jon/0000-0002-4584-7497; Ugalde, Jesus/0000-0001-8980-9751; Garcia Arribas, Aritz/0000-0003-1866-6647; Plazaola Muguruza, Fernando/0000-0002-0081-8131; Axpe, Eneko/0000-0002-9114-5306},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{RN371,

title = {Aluminum and its effect in the equilibrium between folded/unfolded conformation of NADH},

author = {E. Formoso and J. I. Mujika and S. J. Grabowski and X. Lopez},

url = {<Go to ISI>://WOS:000367127800014},

doi = {10.1016/j.jinorgbio.2015.08.017},

issn = {0162-0134},

year  = {2015},

date = {2015-01-01},

journal = {Journal of Inorganic Biochemistry},

volume = {152},

pages = {139-146},

note = {Formoso, Elena Mujika, Jon I. Grabowski, Slawomir J. Lopez, Xabier 

Formoso, Elena/E-6834-2010; Mujika, Jon/H-7132-2012; Lopez, Xabier/G-5690-2015; Grabowski, Slawomir J/N-3119-2014 

Formoso, Elena/0000-0002-7106-3717; Mujika, Jon/0000-0002-4584-7497; Lopez, Xabier/0000-0002-2711-3588; 

1873-3344 

Si},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{RN316,

title = {PNOF5 calculations based on the "thermodynamic fragment energy method": CnH2n+2 (n = 1, 10) and (FH)(n) (n = 1, 8) as test cases},

author = {X. Lopez and M. Piris},

url = {<Go to ISI>://WOS:000365330100002},

doi = {10.1007/s00214-015-1756-x},

issn = {1432-881X},

year  = {2015},

date = {2015-01-01},

journal = {Theoretical Chemistry Accounts},

volume = {134},

number = {12},

note = {Lopez, Xabier Piris, Mario 

Lopez, Xabier/G-5690-2015; Piris, Mario/E-7406-2010 

Lopez, Xabier/0000-0002-2711-3588; Piris, Mario/0000-0003-0222-2953 

1432-2234},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{RN40,

title = {Performance of PNOF6 for Hydrogen Abstraction Reactions},

author = {X. Lopez and M. Piris and F. Ruiperez and J. M. Ugalde},

url = {<Go to ISI>://WOS:000357963400005},

doi = {10.1021/acs.jpca.5b01585},

issn = {1089-5639},

year  = {2015},

date = {2015-01-01},

journal = {Journal of Physical Chemistry A},

volume = {119},

number = {27},

pages = {6981-6988},

note = {Lopez, Xabier Piris, Mario Ruiperez, Fernando Ugalde, Jesus M. 

Ruiperez, Fernando/H-9744-2013; Ugalde, Jesus/M-2771-2014; Lopez, Xabier/G-5690-2015; Piris, Mario/E-7406-2010 

Ruiperez, Fernando/0000-0002-5585-245X; Ugalde, Jesus/0000-0001-8980-9751; Lopez, Xabier/0000-0002-2711-3588; Piris, Mario/0000-0003-0222-2953},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{RN372,

title = {Aluminum interaction with 2,3-diphosphoglyceric acid. A computational studyle},

author = {N. Luque and J. I. Mujika and E. Formoso and X. Lopez},

url = {<Go to ISI>://WOS:000358734800089},

doi = {10.1039/c5ra06796k},

issn = {2046-2069},

year  = {2015},

date = {2015-01-01},

journal = {Rsc Advances},

volume = {5},

number = {78},

pages = {63874-63881},

note = {Luque, Noelia Mujika, Jon I. Formoso, Elena Lopez, Xabier 

Mujika, Jon/H-7132-2012; Formoso, Elena/E-6834-2010; Lopez, Xabier/G-5690-2015 

Mujika, Jon/0000-0002-4584-7497; Formoso, Elena/0000-0002-7106-3717; Lopez, Xabier/0000-0002-2711-3588},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{RN41,

title = {The Electronic Structure of the Al-3(-) Anion: Is it Aromatic?},

author = {J. M. Mercero and E. Matito and F. Ruiperez and I. Infante and X. Lopez and J. M. Ugalde},

url = {<Go to ISI>://WOS:000357027300003},

doi = {10.1002/chem.201501350},

issn = {0947-6539},

year  = {2015},

date = {2015-01-01},

journal = {Chemistry-a European Journal},

volume = {21},

number = {27},

pages = {9610-9614},

note = {Mercero, Jose M. Matito, Eduard Ruiperez, Fernando Infante, Ivan Lopez, Xabier Ugalde, Jesus M. 

Infante, Ivan/A-1912-2011; Mercero, Jose/E-6828-2010; Ugalde, Jesus/M-2771-2014; Ruiperez, Fernando/H-9744-2013; Lopez, Xabier/G-5690-2015; Matito, Eduard/A-6532-2009 

Infante, Ivan/0000-0003-3467-9376; Mercero, Jose/0000-0003-4857-6685; Ugalde, Jesus/0000-0001-8980-9751; Ruiperez, Fernando/0000-0002-5585-245X; Lopez, Xabier/0000-0002-2711-3588; Matito, Eduard/0000-0001-6895-4562 

1521-3765},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{RN318,

title = {H-4: A challenging system for natural orbital functional approximations},

author = {E. Ramos-Cordoba and X. Lopez and M. Piris and E. Matito},

url = {<Go to ISI>://WOS:000364235800012},

doi = {10.1063/1.4934799},

issn = {0021-9606},

year  = {2015},

date = {2015-01-01},

journal = {Journal of Chemical Physics},

volume = {143},

number = {16},

note = {Ramos-Cordoba, Eloy Lopez, Xabier Piris, Mario Matito, Eduard 

Ramos-Cordoba, Eloy/D-2830-2013; Lopez, Xabier/G-5690-2015; Matito, Eduard/A-6532-2009; Piris, Mario/E-7406-2010 

Ramos-Cordoba, Eloy/0000-0002-6558-7821; Lopez, Xabier/0000-0002-2711-3588; Matito, Eduard/0000-0001-6895-4562; Piris, Mario/0000-0003-0222-2953 

1089-7690},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{RN325,

title = {Natural orbital functional calculations of molecular polarizabilities and second hyperpolarizabilities. The hydrogen molecule as a test case},

author = {X. Lopez and M. Piris and M. Nakano and B. Champagne},

url = {<Go to ISI>://WOS:000328945800005},

doi = {10.1088/0953-4075/47/1/015101},

issn = {0953-4075},

year  = {2014},

date = {2014-01-01},

journal = {Journal of Physics B-Atomic Molecular and Optical Physics},

volume = {47},

number = {1},

note = {Lopez, Xabier Piris, Mario Nakano, Masayoshi Champagne, Benoit 

nakano, masayoshi/AAL-8624-2020; Lopez, Xabier/G-5690-2015; Piris, Mario/E-7406-2010 

nakano, masayoshi/0000-0002-3544-1290; Lopez, Xabier/0000-0002-2711-3588; Piris, Mario/0000-0003-0222-2953; CHAMPAGNE, Benoit/0000-0003-3678-8875 

1361-6455},

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{RN118,

title = {Aluminum Interaction with Glutamate and alpha-Ketoglutarate: A Computational Study},

author = {J. I. Mujika and J. M. Ugalde and X. Lopez},

url = {<Go to ISI>://WOS:000337784100036},

doi = {10.1021/jp502724w},

issn = {1520-6106},

year  = {2014},

date = {2014-01-01},

journal = {Journal of Physical Chemistry B},

volume = {118},

number = {24},

pages = {6680-6686},

note = {Mujika, J. I. Ugalde, J. M. Lopez, X. 

Ugalde, Jesus/M-2771-2014; Lopez, Xabier/G-5690-2015; Mujika, Jon/H-7132-2012 

Ugalde, Jesus/0000-0001-8980-9751; Lopez, Xabier/0000-0002-2711-3588; Mujika, Jon/0000-0002-4584-7497 

1520-5207 

Si},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{RN63,

title = {A DFT/TDDFT study on the optoelectronic properties of the amine-capped magic (CdSe)(13) nanocluster},

author = {J. M. Azpiroz and J. M. Matxain and I. Infante and X. Lopez and J. M. Ugalde},

url = {<Go to ISI>://WOS:000320321600048},

doi = {10.1039/c3cp51687c},

issn = {1463-9076},

year  = {2013},

date = {2013-01-01},

journal = {Physical Chemistry Chemical Physics},

volume = {15},

number = {26},

pages = {10996-11005},

note = {Azpiroz, Jon M. Matxain, Jon M. Infante, Ivan Lopez, Xabier Ugalde, Jesus M. 

Matxain, Jon M./J-8184-2014; Ugalde, Jesus/M-2771-2014; Infante, Ivan/A-1912-2011; Lopez, Xabier/G-5690-2015 

Matxain, Jon M./0000-0002-6342-0649; Ugalde, Jesus/0000-0001-8980-9751; Infante, Ivan/0000-0003-3467-9376; Lopez, Xabier/0000-0002-2711-3588 

1463-9084},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{RN60,

title = {Communication: Chemical bonding in carbon dimer isovalent series from the natural orbital functional theory perspective},

author = {J. M. Matxain and F. Ruiperez and I. Infante and X. Lopez and J. M. Ugalde and G. Merino and M. Piris},

url = {<Go to ISI>://WOS:000317814900002},

doi = {10.1063/1.4802585},

issn = {0021-9606},

year  = {2013},

date = {2013-01-01},

journal = {Journal of Chemical Physics},

volume = {138},

number = {15},

note = {Matxain, Jon M. Ruiperez, Fernando Infante, Ivan Lopez, Xabier Ugalde, Jesus M. Merino, Gabriel Piris, Mario 

Piris, Mario/E-7406-2010; Ugalde, Jesus/M-2771-2014; Lopez, Xabier/G-5690-2015; Ruiperez, Fernando/H-9744-2013; Merino, Gabriel/A-1046-2009; Infante, Ivan/A-1912-2011; Matxain, Jon M./J-8184-2014 

Piris, Mario/0000-0003-0222-2953; Ugalde, Jesus/0000-0001-8980-9751; Lopez, Xabier/0000-0002-2711-3588; Ruiperez, Fernando/0000-0002-5585-245X; Infante, Ivan/0000-0003-3467-9376; Matxain, Jon M./0000-0002-6342-0649 

1089-7690},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{RN326,

title = {The intrapair electron correlation in natural orbital functional theory},

author = {M. Piris and J. M. Matxain and X. Lopez},

url = {<Go to ISI>://WOS:000329191300009},

doi = {10.1063/1.4844075},

issn = {0021-9606},

year  = {2013},

date = {2013-01-01},

journal = {Journal of Chemical Physics},

volume = {139},

number = {23},

note = {Piris, M. Matxain, J. M. Lopez, X. 

Lopez, Xabier/G-5690-2015; Matxain, Jon M./J-8184-2014; Piris, Mario/E-7406-2010 

Lopez, Xabier/0000-0002-2711-3588; Matxain, Jon M./0000-0002-6342-0649; Piris, Mario/0000-0003-0222-2953 

1089-7690},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{RN62,

title = {The one-electron picture in the Piris natural orbital functional 5 (PNOF5)},

author = {M. Piris and J. M. Matxain and X. Lopez and J. M. Ugalde},

url = {<Go to ISI>://WOS:000318294700001},

doi = {10.1007/s00214-012-1298-4},

issn = {1432-881X},

year  = {2013},

date = {2013-01-01},

journal = {Theoretical Chemistry Accounts},

volume = {132},

number = {2},

note = {Piris, Mario Matxain, Jon M. Lopez, Xabier Ugalde, Jesus M. 

Piris, Mario/E-7406-2010; Matxain, Jon M./J-8184-2014; Lopez, Xabier/G-5690-2015; Ugalde, Jesus/M-2771-2014 

Piris, Mario/0000-0003-0222-2953; Matxain, Jon M./0000-0002-6342-0649; Lopez, Xabier/0000-0002-2711-3588; Ugalde, Jesus/0000-0001-8980-9751 

1432-2234},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{RN373,

title = {Formation of the OOH center dot radical at steps of the boehmite surface and its inhibition by gallic acid: A theoretical study including DFT-based dynamics},

author = {T. Ribeiro and A. Motta and P. Marcus and M. P. Gaigeot and X. Lopez and D. Costa},

url = {<Go to ISI>://WOS:000326060800020},

doi = {10.1016/j.jinorgbio.2013.07.024},

issn = {0162-0134},

year  = {2013},

date = {2013-01-01},

journal = {Journal of Inorganic Biochemistry},

volume = {128},

pages = {164-173},

note = {Ribeiro, T. Motta, A. Marcus, P. Gaigeot, M. -P. Lopez, X. Costa, D. 

Lopez, Xabier/G-5690-2015; Motta, Alessandro/HJO-9047-2023 

Lopez, Xabier/0000-0002-2711-3588; Motta, Alessandro/0000-0003-0235-2088 

1873-3344 

Si},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{RN66,

title = {A first-principles study of II-VI (II = Zn; VI = O, S, Se, Te) semiconductor nanostructures},

author = {J. M. Azpiroz and I. Infante and X. Lopez and J. M. Ugalde and F. De Angelis},

url = {<Go to ISI>://WOS:000309852400019},

doi = {10.1039/c2jm33744d},

issn = {0959-9428},

year  = {2012},

date = {2012-01-01},

journal = {Journal of Materials Chemistry},

volume = {22},

number = {40},

pages = {21453-21465},

note = {Azpiroz, Jon M. Infante, Ivan Lopez, Xabier Ugalde, Jesus M. De Angelis, Filippo 

Infante, Ivan/A-1912-2011; De Angelis, Filippo/N-4341-2015; Lopez, Xabier/G-5690-2015; Ugalde, Jesus/M-2771-2014 

Infante, Ivan/0000-0003-3467-9376; De Angelis, Filippo/0000-0003-3833-1975; Lopez, Xabier/0000-0002-2711-3588; Ugalde, Jesus/0000-0001-8980-9751 

1364-5501},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{RN72,

title = {Modeling Surface Passivation of ZnS Quantum Dots},

author = {J. M. Azpiroz and X. Lopez and J. M. Ugalde and I. Infante},

url = {<Go to ISI>://WOS:000300462400012},

doi = {10.1021/jp209863p},

issn = {1932-7447},

year  = {2012},

date = {2012-01-01},

journal = {Journal of Physical Chemistry C},

volume = {116},

number = {4},

pages = {2740-2750},

note = {Azpiroz, Jon M. Lopez, Xabier Ugalde, Jesus M. Infante, Ivan 

Ugalde, Jesus/M-2771-2014; Lopez, Xabier/G-5690-2015; Infante, Ivan/A-1912-2011 

Ugalde, Jesus/0000-0001-8980-9751; Lopez, Xabier/0000-0002-2711-3588; Infante, Ivan/0000-0003-3467-9376 

1932-7455},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{RN67,

title = {Performance of PNOF5 Natural Orbital Functional for Radical Formation Reactions: Hydrogen Atom Abstraction and C-C and O-O Homolytic Bond Cleavage in Selected Molecules},

author = {X. Lopez and F. Ruiperez and M. Piris and J. M. Matxain and E. Matito and J. M. Ugalde},

url = {<Go to ISI>://WOS:000307478800011},

doi = {10.1021/ct300414t},

issn = {1549-9618},

year  = {2012},

date = {2012-01-01},

journal = {Journal of Chemical Theory and Computation},

volume = {8},

number = {8},

pages = {2646-2652},

note = {Lopez, Xabier Ruiperez, Fernando Piris, Mario Matxain, Jon M. Matito, Eduard Ugalde, Jesus M. 

Matito, Eduard/A-6532-2009; Ugalde, Jesus/M-2771-2014; Ruiperez, Fernando/H-9744-2013; Lopez, Xabier/G-5690-2015; Piris, Mario/E-7406-2010; Matxain, Jon M./J-8184-2014 

Matito, Eduard/0000-0001-6895-4562; Ugalde, Jesus/0000-0001-8980-9751; Ruiperez, Fernando/0000-0002-5585-245X; Lopez, Xabier/0000-0002-2711-3588; Piris, Mario/0000-0003-0222-2953; Matxain, Jon M./0000-0002-6342-0649 

1549-9626},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{RN123,

title = {Non-Born-Oppenheimer electronic and nuclear densities for a Hooke-Calogero three-particle model: Non-uniqueness of density-derived molecular structure},

author = {E. V. Ludena and L. Echevarria and X. Lopez and J. M. Ugalde},

url = {<Go to ISI>://WOS:000300944000005},

doi = {10.1063/1.3682244},

issn = {0021-9606},

year  = {2012},

date = {2012-01-01},

journal = {Journal of Chemical Physics},

volume = {136},

number = {8},

note = {Ludena, E. V. Echevarria, L. Lopez, X. Ugalde, J. M. 

Ludena, Eduardo V/ABE-4825-2021; Lopez, Xabier/G-5690-2015; Ugalde, Jesus/M-2771-2014; Echevarria, Lorenzo/A-6813-2009 

Lopez, Xabier/0000-0002-2711-3588; Ugalde, Jesus/0000-0001-8980-9751; Ludena, Eduardo V./0000-0003-1381-7194 

1089-7690},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{RN71,

title = {sp(3) Hybrid orbitals and ionization energies of methane from PNOF5},

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

url = {<Go to ISI>://WOS:000301931800052},

doi = {10.1016/j.cplett.2012.02.041},

issn = {0009-2614},

year  = {2012},

date = {2012-01-01},

journal = {Chemical Physics Letters},

volume = {531},

pages = {272-274},

note = {Matxain, Jon M. Piris, Mario Mercero, Jose M. Lopez, Xabier Ugalde, Jesus M. 

Ugalde, Jesus/M-2771-2014; Piris, Mario/E-7406-2010; Mercero, Jose/E-6828-2010; Matxain, Jon M./J-8184-2014; Lopez, Xabier/G-5690-2015 

Ugalde, Jesus/0000-0001-8980-9751; Piris, Mario/0000-0003-0222-2953; Mercero, Jose/0000-0003-4857-6685; Matxain, Jon M./0000-0002-6342-0649; Lopez, Xabier/0000-0002-2711-3588 

1873-4448},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{RN69,

title = {The Nature of Chemical Bonds from PNOF5 Calculations},

author = {J. M. Matxain and M. Piris and J. Uranga and X. Lopez and G. Merino and J. M. Ugalde},

url = {<Go to ISI>://WOS:000305131000011},

doi = {10.1002/cphc.201200205},

issn = {1439-4235},

year  = {2012},

date = {2012-01-01},

journal = {Chemphyschem},

volume = {13},

number = {9},

pages = {2297-2303},

note = {Matxain, Jon M. Piris, Mario Uranga, Jon Lopez, Xabier Merino, Gabriel Ugalde, Jesus M. 

Lopez, Xabier/G-5690-2015; Matxain, Jon M./J-8184-2014; Piris, Mario/E-7406-2010; Ugalde, Jesus/M-2771-2014; Uranga, Jon/ABC-3945-2021; Merino, Gabriel/A-1046-2009 

Lopez, Xabier/0000-0002-2711-3588; Matxain, Jon M./0000-0002-6342-0649; Piris, Mario/0000-0003-0222-2953; Ugalde, Jesus/0000-0001-8980-9751; Uranga, Jon/0000-0002-1256-6656; 

1439-7641},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{RN122,

title = {Molecular Dynamics Simulations of Iron- and Aluminum-Loaded Serum Transferrin: Protonation of Tyr188 Is Necessary To Prompt Metal Release},

author = {J. I. Mujika and B. Escribano and E. Akhmatskaya and J. M. Ugalde and X. Lopez},

url = {<Go to ISI>://WOS:000308269700014},

doi = {10.1021/bi300584p},

issn = {0006-2960},

year  = {2012},

date = {2012-01-01},

journal = {Biochemistry},

volume = {51},

number = {35},

pages = {7017-7027},

note = {Mujika, J. I. Escribano, B. Akhmatskaya, E. Ugalde, J. M. Lopez, X. 

Lopez, Xabier/G-5690-2015; Mujika, Jon/H-7132-2012; Ugalde, Jesus/M-2771-2014; Escribano, Bruno/HJY-4762-2023 

Lopez, Xabier/0000-0002-2711-3588; Mujika, Jon/0000-0002-4584-7497; Ugalde, Jesus/0000-0001-8980-9751; Akhmatskaya, Elena/0000-0002-5136-7991; Escribano, Bruno/0000-0003-3422-9279},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{RN374,

title = {Mechanism of C-terminal intein cleavage in protein splicing from QM/MM molecular dynamics simulations},

author = {J. I. Mujika and X. Lopez and A. J. Mulholland},

url = {<Go to ISI>://WOS:000299342200011},

doi = {10.1039/c1ob06444d},

issn = {1477-0520},

year  = {2012},

date = {2012-01-01},

journal = {Organic & Biomolecular Chemistry},

volume = {10},

number = {6},

pages = {1207-1218},

note = {Mujika, Jon I. Lopez, Xabier Mulholland, Adrian J. 

Mujika, Jon/H-7132-2012; Lopez, Xabier/G-5690-2015 

Mujika, Jon/0000-0002-4584-7497; Lopez, Xabier/0000-0002-2711-3588; Mulholland, Adrian/0000-0003-1015-4567 

1477-0539},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{RN125,

title = {Aluminum speciation in biological environments. The deprotonation of free and aluminum bound citrate in aqueous solution},

author = {J. I. Mujika and J. M. Ugalde and X. Lopez},

url = {<Go to ISI>://WOS:000307900800007},

doi = {10.1039/c2cp40671c},

issn = {1463-9076},

year  = {2012},

date = {2012-01-01},

journal = {Physical Chemistry Chemical Physics},

volume = {14},

number = {36},

pages = {12465-12475},

note = {Mujika, J. I. Ugalde, J. M. Lopez, X. 

Ugalde, Jesus/M-2771-2014; Lopez, Xabier/G-5690-2015; Mujika, Jon/H-7132-2012 

Ugalde, Jesus/0000-0001-8980-9751; Lopez, Xabier/0000-0002-2711-3588; Mujika, Jon/0000-0002-4584-7497},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{RN70,

title = {The extended Koopmans' theorem: Vertical ionization potentials from natural orbital functional theory},

author = {M. Piris and J. M. Matxain and X. Lopez and J. M. Ugalde},

url = {<Go to ISI>://WOS:000303935700017},

doi = {10.1063/1.4709769},

issn = {0021-9606},

year  = {2012},

date = {2012-01-01},

journal = {Journal of Chemical Physics},

volume = {136},

number = {17},

note = {Piris, Mario Matxain, Jon M. Lopez, Xabier Ugalde, Jesus M. 

Piris, Mario/E-7406-2010; Ugalde, Jesus/M-2771-2014; Matxain, Jon M./J-8184-2014; Lopez, Xabier/G-5690-2015 

Piris, Mario/0000-0003-0222-2953; Ugalde, Jesus/0000-0001-8980-9751; Matxain, Jon M./0000-0002-6342-0649; Lopez, Xabier/0000-0002-2711-3588 

1089-7690},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{RN121,

title = {Pro-oxidant activity of aluminum: Promoting the Fenton reaction by reducing Fe(III) to Fe(II)},

author = {F. Ruiperez and J. J. Mujika and J. M. Ugalde and C. Exley and X. Lopez},

url = {<Go to ISI>://WOS:000311819300014},

doi = {10.1016/j.jinorgbio.2012.09.008},

issn = {0162-0134},

year  = {2012},

date = {2012-01-01},

journal = {Journal of Inorganic Biochemistry},

volume = {117},

pages = {118-123},

note = {Ruiperez, F. Mujika, J. J. Ugalde, J. M. Exley, C. Lopez, X. 

Ruiperez, Fernando/H-9744-2013; Lopez, Xabier/G-5690-2015; Mujika, Jon/H-7132-2012; Ugalde, Jesus/M-2771-2014 

Ruiperez, Fernando/0000-0002-5585-245X; Lopez, Xabier/0000-0002-2711-3588; Mujika, Jon/0000-0002-4584-7497; Ugalde, Jesus/0000-0001-8980-9751; Exley, Christopher/0000-0002-5116-7607 

1873-3344},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{RN80,

title = {Natural Orbital Functional Theory and Reactivity Studies of Diradical Rearrangements: Ethylene Torsion as a Case Study},

author = {X. Lopez and M. Piris and J. M. Matxain and F. Ruiperez and J. M. Ugalde},

url = {<Go to ISI>://WOS:000292213000014},

doi = {10.1002/cphc.201100190},

issn = {1439-4235},

year  = {2011},

date = {2011-01-01},

journal = {Chemphyschem},

volume = {12},

number = {9},

pages = {1673-1676},

note = {Lopez, Xabier Piris, Mario Matxain, Jon M. Ruiperez, Fernando Ugalde, Jesus M. 

Ruiperez, Fernando/H-9744-2013; Ugalde, Jesus/M-2771-2014; Lopez, Xabier/G-5690-2015; Piris, Mario/E-7406-2010; Matxain, Jon M./J-8184-2014 

Ruiperez, Fernando/0000-0002-5585-245X; Ugalde, Jesus/0000-0001-8980-9751; Lopez, Xabier/0000-0002-2711-3588; Piris, Mario/0000-0003-0222-2953; Matxain, Jon M./0000-0002-6342-0649 

1439-7641},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{RN83,

title = {Diradicals and Diradicaloids in Natural Orbital Functional Theory},

author = {X. Lopez and F. Ruiperez and M. Piris and J. M. Matxain and J. M. Ugalde},

url = {<Go to ISI>://WOS:000289264400007},

doi = {10.1002/cphc.201100136},

issn = {1439-4235},

year  = {2011},

date = {2011-01-01},

journal = {Chemphyschem},

volume = {12},

number = {6},

pages = {1061-1065},

note = {Lopez, Xabier Ruiperez, Fernando Piris, Mario Matxain, Jon M. Ugalde, Jesus M. 

Ugalde, Jesus/M-2771-2014; Ruiperez, Fernando/H-9744-2013; Matxain, Jon M./J-8184-2014; Lopez, Xabier/G-5690-2015; Piris, Mario/E-7406-2010 

Ugalde, Jesus/0000-0001-8980-9751; Ruiperez, Fernando/0000-0002-5585-245X; Matxain, Jon M./0000-0002-6342-0649; Lopez, Xabier/0000-0002-2711-3588; Piris, Mario/0000-0003-0222-2953},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{RN128,

title = {Model for a Biexciton in a Lateral Quantum Dot Based on Exact Solutions for the Hookean H-2 Molecule. I. Theoretical Aspects},

author = {E. V. Ludena and L. Echevarria and J. M. Ugalde and X. Lopez and A. Corella-Madueno},

url = {<Go to ISI>://WOS:000288873300059},

doi = {10.1002/qua.22818},

issn = {0020-7608},

year  = {2011},

date = {2011-01-01},

journal = {International Journal of Quantum Chemistry},

volume = {111},

number = {7-8},

pages = {1808-1818},

note = {Ludena, E. V. Echevarria, L. Ugalde, J. M. Lopez, X. Corella-Madueno, A. 

Echevarria, Lorenzo/A-6813-2009; Ugalde, Jesus/M-2771-2014; Lopez, Xabier/G-5690-2015; Ludena, Eduardo V/ABE-4825-2021 

Ugalde, Jesus/0000-0001-8980-9751; Lopez, Xabier/0000-0002-2711-3588; Echevarria, Lorenzo/0000-0002-9872-1126; Ludena, Eduardo V./0000-0003-1381-7194 

Si},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{RN131,

title = {Homolytic molecular dissociation in natural orbital functional theory},

author = {J. M. Matxain and M. Piris and F. Ruiperez and X. Lopez and J. M. Ugalde},

url = {<Go to ISI>://WOS:000296871500014},

doi = {10.1039/c1cp21696a},

issn = {1463-9076},

year  = {2011},

date = {2011-01-01},

journal = {Physical Chemistry Chemical Physics},

volume = {13},

number = {45},

pages = {20129-20135},

note = {Matxain, J. M. Piris, M. Ruiperez, F. Lopez, X. Ugalde, J. M. 

Piris, Mario/E-7406-2010; Ugalde, Jesus/M-2771-2014; Matxain, Jon M./J-8184-2014; Ruiperez, Fernando/H-9744-2013; Lopez, Xabier/G-5690-2015 

Piris, Mario/0000-0003-0222-2953; Ugalde, Jesus/0000-0001-8980-9751; Matxain, Jon M./0000-0002-6342-0649; Ruiperez, Fernando/0000-0002-5585-245X; Lopez, Xabier/0000-0002-2711-3588 

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{RN127,

title = {Pro-oxidant Activity of Aluminum: Stabilization of the Aluminum Superoxide Radical Ion},

author = {J. I. Mujika and F. Ruiperez and I. Infante and J. M. Ugalde and C. Exley and X. Lopez},

url = {<Go to ISI>://WOS:000291709400049},

doi = {10.1021/jp203290b},

issn = {1089-5639},

year  = {2011},

date = {2011-01-01},

journal = {Journal of Physical Chemistry A},

volume = {115},

number = {24},

pages = {6717-6723},

note = {Mujika, J. I. Ruiperez, F. Infante, I. Ugalde, J. M. Exley, C. Lopez, X. 

Lopez, Xabier/G-5690-2015; Infante, Ivan/A-1912-2011; Ruiperez, Fernando/H-9744-2013; Mujika, Jon/H-7132-2012; Ugalde, Jesus/M-2771-2014 

Lopez, Xabier/0000-0002-2711-3588; Infante, Ivan/0000-0003-3467-9376; Ruiperez, Fernando/0000-0002-5585-245X; Mujika, Jon/0000-0002-4584-7497; Ugalde, Jesus/0000-0001-8980-9751; Exley, Christopher/0000-0002-5116-7607},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{RN130,

title = {Computational evaluation of pK(a) for oxygenated side chain containing amino acids interacting with Aluminum},

author = {J. I. Mujika and J. M. Ugalde and X. Lopez},

url = {<Go to ISI>://WOS:000287748900010},

doi = {10.1007/s00214-010-0807-6},

issn = {1432-881X},

year  = {2011},

date = {2011-01-01},

journal = {Theoretical Chemistry Accounts},

volume = {128},

number = {4-6},

pages = {477-484},

note = {Mujika, J. I. Ugalde, J. M. Lopez, X. 

Mujika, Jon/H-7132-2012; Ugalde, Jesus/M-2771-2014; Lopez, Xabier/G-5690-2015 

Mujika, Jon/0000-0002-4584-7497; Ugalde, Jesus/0000-0001-8980-9751; Lopez, Xabier/0000-0002-2711-3588 

1432-2234},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{RN129,

title = {A natural orbital functional for multiconfigurational states},

author = {M. Piris and X. Lopez and F. Ruiperez and J. M. Matxain and J. M. Ugalde},

url = {<Go to ISI>://WOS:000290047600003},

doi = {10.1063/1.3582792},

issn = {0021-9606},

year  = {2011},

date = {2011-01-01},

journal = {Journal of Chemical Physics},

volume = {134},

number = {16},

note = {Piris, M. Lopez, X. Ruiperez, F. Matxain, J. M. Ugalde, J. M. 

Ugalde, Jesus/M-2771-2014; Matxain, Jon M./J-8184-2014; Lopez, Xabier/G-5690-2015; Piris, Mario/E-7406-2010; Ruiperez, Fernando/H-9744-2013 

Ugalde, Jesus/0000-0001-8980-9751; Matxain, Jon M./0000-0002-6342-0649; Lopez, Xabier/0000-0002-2711-3588; Piris, Mario/0000-0003-0222-2953; Ruiperez, Fernando/0000-0002-5585-245X 

1089-7690},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{RN375,

title = {Molecular Dynamics Simulation of Bovine Pancreatic Ribonuclease A-CpA and Transition State-like Complexes},

author = {E. Formoso and J. M. Matxain and X. Lopez and D. M. York},

url = {<Go to ISI>://WOS:000278004300027},

doi = {10.1021/jp909004y},

issn = {1520-6106},

year  = {2010},

date = {2010-01-01},

journal = {Journal of Physical Chemistry B},

volume = {114},

number = {21},

pages = {7371-7382},

note = {Formoso, Elena Matxain, Jon M. Lopez, Xabier York, Darrin M. 

Formoso, Elena/E-6834-2010; Lopez, Xabier/G-5690-2015; Matxain, Jon M./J-8184-2014 

Formoso, Elena/0000-0002-7106-3717; Lopez, Xabier/0000-0002-2711-3588; Matxain, Jon M./0000-0002-6342-0649; York, Darrin/0000-0002-9193-7055 

1520-5207},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{RN85,

title = {KINETIC ENERGY FUNCTIONALS: EXACT ONES FROM ANALYTIC MODEL WAVE FUNCTIONS AND APPROXIMATE ONES IN ORBITAL-FREE MOLECULAR DYNAMICS},

author = {V. V. Karasiev and X. Lopez and J. M. Ugalde and E. V. Ludena},

url = {<Go to ISI>://WOS:000287188500022},

doi = {10.1142/s0217979210057274},

issn = {0217-9792},

year  = {2010},

date = {2010-01-01},

journal = {International Journal of Modern Physics B},

volume = {24},

number = {25-26},

pages = {5139-5151},

note = {Karasiev, Valentin V. Lopez, Xabier Ugalde, Jesus M. Ludena, Eduardo V. 

33rd International Workshop on Condensed Matter Theories 

Aug 16-22, 2009 

Quito, ECUADOR 

Senacyt 

Karasiev, Valentin/AAA-3006-2019; Lopez, Xabier/G-5690-2015; Karasiev, Valentin V/J-2519-2012; Ugalde, Jesus/M-2771-2014; Ludena, Eduardo V/ABE-4825-2021 

Karasiev, Valentin/0000-0003-3445-6797; Lopez, Xabier/0000-0002-2711-3588; Karasiev, Valentin V/0000-0003-3445-6797; Ugalde, Jesus/0000-0001-8980-9751; Ludena, Eduardo V./0000-0003-1381-7194 

1793-6578 

Si},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{RN136,

title = {Performance of PNOF3 for reactivity studies: X BO and X CN isomerization reactions (X = H, Li) as a case study},

author = {X. Lopez and M. Piris and J. M. Matxain and J. M. Ugalde},

url = {<Go to ISI>://WOS:000282642800004},

doi = {10.1039/c003379k},

issn = {1463-9076},

year  = {2010},

date = {2010-01-01},

journal = {Physical Chemistry Chemical Physics},

volume = {12},

number = {40},

pages = {12931-12934},

note = {Lopez, X. Piris, M. Matxain, J. M. Ugalde, J. M. 

Ugalde, Jesus/M-2771-2014; Lopez, Xabier/G-5690-2015; Matxain, Jon M./J-8184-2014; Piris, Mario/E-7406-2010 

Ugalde, Jesus/0000-0001-8980-9751; Lopez, Xabier/0000-0002-2711-3588; Matxain, Jon M./0000-0002-6342-0649; Piris, Mario/0000-0003-0222-2953},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{RN132,

title = {Complete basis set limit extrapolation calculations with PNOF3},

author = {J. M. Matxain and M. Piris and X. Lopez and J. M. Ugalde},

url = {<Go to ISI>://WOS:000282698700034},

doi = {10.1016/j.cplett.2010.09.004},

issn = {0009-2614},

year  = {2010},

date = {2010-01-01},

journal = {Chemical Physics Letters},

volume = {499},

number = {1-3},

pages = {164-167},

note = {Matxain, J. M. Piris, M. Lopez, X. Ugalde, J. M. 

Lopez, Xabier/G-5690-2015; Piris, Mario/E-7406-2010; Ugalde, Jesus/M-2771-2014; Matxain, Jon M./J-8184-2014 

Lopez, Xabier/0000-0002-2711-3588; Piris, Mario/0000-0003-0222-2953; Ugalde, Jesus/0000-0001-8980-9751; Matxain, Jon M./0000-0002-6342-0649 

1873-4448},

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{RN133,

title = {Communication: The role of the positivity N-representability conditions in natural orbital functional theory},

author = {M. Piris and J. M. Matxain and X. Lopez and J. M. Ugalde},

url = {<Go to ISI>://WOS:000282047500001},

doi = {10.1063/1.3481578},

issn = {0021-9606},

year  = {2010},

date = {2010-01-01},

journal = {Journal of Chemical Physics},

volume = {133},

number = {11},

note = {Piris, M. Matxain, J. M. Lopez, X. Ugalde, J. M. 

Lopez, Xabier/G-5690-2015; Piris, Mario/E-7406-2010; Ugalde, Jesus/M-2771-2014; Matxain, Jon M./J-8184-2014 

Lopez, Xabier/0000-0002-2711-3588; Piris, Mario/0000-0003-0222-2953; Ugalde, Jesus/0000-0001-8980-9751; Matxain, Jon M./0000-0002-6342-0649 

1089-7690},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{RN135,

title = {Communications: Accurate description of atoms and molecules by natural orbital functional theory},

author = {M. Piris and J. M. Matxain and X. Lopez and J. M. Ugalde},

url = {<Go to ISI>://WOS:000273890800003},

doi = {10.1063/1.3298694},

issn = {0021-9606},

year  = {2010},

date = {2010-01-01},

journal = {Journal of Chemical Physics},

volume = {132},

number = {3},

note = {Piris, M. Matxain, J. M. Lopez, X. Ugalde, J. M. 

Lopez, Xabier/G-5690-2015; Ugalde, Jesus/M-2771-2014; Matxain, Jon M./J-8184-2014; Piris, Mario/E-7406-2010 

Lopez, Xabier/0000-0002-2711-3588; Ugalde, Jesus/0000-0001-8980-9751; Matxain, Jon M./0000-0002-6342-0649; Piris, Mario/0000-0003-0222-2953 

1089-7690},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{RN333,

title = {Thermally Stable Solids Based on Endohedrally Doped ZnS Clusters},

author = {J. M. Matxain and M. Piris and X. Lopez and J. M. Ugaide},

url = {<Go to ISI>://WOS:000266292200023},

doi = {10.1002/chem.200802472},

issn = {0947-6539},

year  = {2009},

date = {2009-01-01},

journal = {Chemistry-a European Journal},

volume = {15},

number = {20},

pages = {5138-5144},

note = {Matxain, Jon M. Piris, Mario Lopez, Xabier Ugaide, Jesus M. 

Matxain, Jon M./J-8184-2014; Lopez, Xabier/G-5690-2015; Ugalde, Jesus/M-2771-2014; Piris, Mario/E-7406-2010 

Matxain, Jon M./0000-0002-6342-0649; Lopez, Xabier/0000-0002-2711-3588; Ugalde, Jesus/0000-0001-8980-9751; Piris, Mario/0000-0003-0222-2953 

1521-3765},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{RN94,

title = {Sandwich Complexes of the Metalloaromatic eta(3)-Al3R3 Ligand},

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

url = {<Go to ISI>://WOS:000266484700031},

doi = {10.1021/ja8095043},

issn = {0002-7863},

year  = {2009},

date = {2009-01-01},

journal = {Journal of the American Chemical Society},

volume = {131},

number = {20},

pages = {6949-+},

note = {Mercero, Jose M. Piris, Mario Matxain, Jon M. Lopez, Xabier Ugalde, Jesus M. 

Ugalde, Jesus/M-2771-2014; Lopez, Xabier/G-5690-2015; Matxain, Jon M./J-8184-2014; Piris, Mario/E-7406-2010; Mercero, Jose/E-6828-2010 

Ugalde, Jesus/0000-0001-8980-9751; Lopez, Xabier/0000-0002-2711-3588; Matxain, Jon M./0000-0002-6342-0649; Piris, Mario/0000-0003-0222-2953; Mercero, Jose/0000-0003-4857-6685},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{RN376,

title = {Modeling Protein Splicing: Reaction Pathway for C-Terminal Splice and Intein Scission},

author = {J. I. Mujika and X. Lopez and A. J. Mulholland},

url = {<Go to ISI>://WOS:000265269100032},

doi = {10.1021/jp808911p},

issn = {1520-6106},

year  = {2009},

date = {2009-01-01},

journal = {Journal of Physical Chemistry B},

volume = {113},

number = {16},

pages = {5607-5616},

note = {Mujika, Jon I. Lopez, Xabier Mulholland, Adrian J. 

Mujika, Jon/H-7132-2012; Lopez, Xabier/G-5690-2015 

Mujika, Jon/0000-0002-4584-7497; Lopez, Xabier/0000-0002-2711-3588; Mulholland, Adrian/0000-0003-1015-4567 

1520-5207},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{RN138,

title = {Spin conserving natural orbital functional theory},

author = {M. Piris and J. M. Matxain and X. Lopez and J. M. Ugalde},

url = {<Go to ISI>://WOS:000267983100002},

doi = {10.1063/1.3180958},

issn = {0021-9606},

year  = {2009},

date = {2009-01-01},

journal = {Journal of Chemical Physics},

volume = {131},

number = {2},

note = {Piris, M. Matxain, J. M. Lopez, X. Ugalde, J. M. 

Piris, Mario/E-7406-2010; Ugalde, Jesus/M-2771-2014; Lopez, Xabier/G-5690-2015; Matxain, Jon M./J-8184-2014 

Piris, Mario/0000-0003-0222-2953; Ugalde, Jesus/0000-0001-8980-9751; Lopez, Xabier/0000-0002-2711-3588; Matxain, Jon M./0000-0002-6342-0649},

keywords = {},

pubstate = {published},

tppubtype = {article}

}