University Full Professor / Catedrático de Universidad

http://orcid.org/0000-0002-2711-3588

ResearcherID: G-5690-2015

Contact Details:Address: Kimika Fakultatea, Euskal Herriko UnibertsitateaPK 1072, 20080 Donostia, Spain
Phone : +34 943 01 8513
E-mail : xabier.lopez@ehu.es

 

Main Research Interest

  • Aluminum Interactions in Biological Systems
  • Phosphate Ester Hydrolysis
  • Amide Bond Hydrolysis
  • Applications of Natural Orbital Functional Theory
  • Hookean Systems

Professional Experience

  • [Nov07 – ] Professor (TU) of Physical Chemistry at the Department of Chemistry of the University of the Basque Country
  • [Nov00 – Nov07] Associate Professor at the Department of Chemistry of the University of the Basque Country.
  • [Sept 99 -Oct 00] Postdoctoral Research Associate in the group of Prof. W. G. Richards. Oxford Centre for Molecular Science, New Chemistry Lab, Oxford (United Kingdom).
  • [Jan 97 – Sept 99] Postdoctoral Research Associate under the supervision of  Prof. M. Karplus, Universite Louis Pasteur, Strasbourg (France).
  • [Mar 96 – Nov 96] Research Associate with Prof. J.M. Ugalde of the University of the Basque Country, Donostia, Spain

Education

  • [1991 – 1996]  Graduate Education: Doctorat in Quantum Chemistry. University of the Basque Country , Donostia , Spain. (Premio Extraordinario de Doctorado)
  • [1986 – 1991]  Undergraduate Education: Licenciature in Chemistry. Universidad Autonoma de Madrid, Madrid , Spain.


173 entries « 4 of 4 »

1997

23.

Cruz, E. M.; Lopez, X.; Sarobe, M.; Cossio, F. P.; Ugalde, J. M.

G2 study of triplet H-4,Si,P (+) potential energy surface: Mechanism for reaction of P+(P-3) with silane (Journal Article)

In: Journal of Computational Chemistry, vol. 18, no. 1, pp. 9-19, 1997, ISSN: 0192-8651, (Cruz, EM Lopez, X Sarobe, M Cossio, FP Ugalde, JM Cruz, Elso Manuel Cruz/I-4925-2017; Ugalde, Jesus/M-2771-2014; Lopez, Xabier/G-5690-2015 Cruz, Elso Manuel Cruz/0000-0002-9050-0898; Ugalde, Jesus/0000-0001-8980-9751; Lopez, Xabier/0000-0002-2711-3588; Cossio, Fernando P./0000-0002-4526-2122 1096-987x).

(Links | BibTeX)

22.

Lopez, X.; Sarasola, C.; Ugalde, J. M.

Transition energies and emission oscillator strengths of helium in model plasma environments (Journal Article)

In: Journal of Physical Chemistry A, vol. 101, no. 10, pp. 1804-1807, 1997, ISSN: 1089-5639, (Lopez, X Sarasola, C Ugalde, JM Lopez, Xabier/G-5690-2015; Ugalde, Jesus/M-2771-2014 Lopez, Xabier/0000-0002-2711-3588; Ugalde, Jesus/0000-0001-8980-9751).

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21.

Mercero, J. M.; Lopez, X.; Fowler, J. E.; Ugalde, J. M.

Ab-initio studies of alternant X2Y2 rings (X=N, P, As, and Sb and Y=O, S, Se, and Te). Planar versus butterfly structures (Journal Article)

In: Journal of Physical Chemistry A, vol. 101, no. 30, pp. 5574-5579, 1997, ISSN: 1089-5639, (Mercero, JM Lopez, X Fowler, JE Ugalde, JM Mercero, Jose/E-6828-2010; Ugalde, Jesus/M-2771-2014; Lopez, Xabier/G-5690-2015 Mercero, Jose/0000-0003-4857-6685; Ugalde, Jesus/0000-0001-8980-9751; Lopez, Xabier/0000-0002-2711-3588).

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20.

Ugalde, J. M.; Sarasola, C.; Lopez, X.

Atomic and molecular bound ground states of the Yukawa potential (Journal Article)

In: Physical Review A, vol. 56, no. 2, pp. 1642-1645, 1997, ISSN: 1050-2947, (Ugalde, JM Sarasola, C Lopez, X Ugalde, Jesus/M-2771-2014; Lopez, Xabier/G-5690-2015 Ugalde, Jesus/0000-0001-8980-9751; Lopez, Xabier/0000-0002-2711-3588 1094-1622).

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1996

19.

Irigoras, A.; Ugalde, J. M.; Lopez, X.; Sarasola, C.

On the dissociation energy of Ti(OH2)(+). An MCSCF, CCSD(T), and DFT study (Journal Article)

In: Canadian Journal of Chemistry-Revue Canadienne De Chimie, vol. 74, no. 10, pp. 1824-1829, 1996, ISSN: 0008-4042, (Irigoras, A Ugalde, JM Lopez, X Sarasola, C Lopez, Xabier/G-5690-2015; Ugalde, Jesus/M-2771-2014 Lopez, Xabier/0000-0002-2711-3588; Ugalde, Jesus/0000-0001-8980-9751).

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18.

Lecea, B.; Arrastia, I.; Arrieta, A.; Roa, G.; Lopez, X.; Arriortua, M. I.; Ugalde, J. M.; Cossio, F. P.

Solvent and substituent effects in the periselectivity of the Staudinger reaction between ketenes and alpha,beta-unsaturated imines. A theoretical and experimental study (Journal Article)

In: Journal of Organic Chemistry, vol. 61, no. 9, pp. 3070-3079, 1996, ISSN: 0022-3263, (Lecea, B Arrastia, I Arrieta, A Roa, G Lopez, X Arriortua, MI Ugalde, JM Cossio, FP Ugalde, Jesus/M-2771-2014; ARRIORTUA, MARIBEL I/G-2416-2016; Lopez, Xabier/G-5690-2015; Arrastia, Iosune/AAB-9186-2019 Ugalde, Jesus/0000-0001-8980-9751; ARRIORTUA, MARIBEL I/0000-0001-7562-2478; Lopez, Xabier/0000-0002-2711-3588; Arrastia, Iosune/0000-0001-5533-3708; Cossio, Fernando P./0000-0002-4526-2122; Arrieta, Ana Jesus/0000-0002-0580-2542 1520-6904).

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17.

Lopez, X.; Ugalde, J. M.; Cossio, F. P.

Characterization of (P(+)L(x))L(y) ion molecule clusters of first-row hydrides (Journal Article)

In: Journal of the American Chemical Society, vol. 118, no. 11, pp. 2718-2725, 1996, ISSN: 0002-7863, (Lopez, X Ugalde, JM Cossio, FP Ugalde, Jesus/M-2771-2014; Lopez, Xabier/G-5690-2015 Ugalde, Jesus/0000-0001-8980-9751; Lopez, Xabier/0000-0002-2711-3588; Cossio, Fernando P./0000-0002-4526-2122 1520-5126).

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16.

Lopez, X.; Ugalde, J. M.; Sarasola, C.; Cossio, F. P.

On the accuracy of density functional theory for ion-molecule clusters. A case study of PL(n)(+) clusters of the first and second row hydrides (Journal Article)

In: Canadian Journal of Chemistry, vol. 74, no. 6, pp. 1032-1048, 1996, ISSN: 0008-4042, (Lopez, X Ugalde, JM Sarasola, C Cossio, FP Lopez, Xabier/G-5690-2015; Ugalde, Jesus/M-2771-2014 Lopez, Xabier/0000-0002-2711-3588; Ugalde, Jesus/0000-0001-8980-9751; Cossio, Fernando P./0000-0002-4526-2122 1480-3291).

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1995

15.

Cruz, E. M.; Lopez, X.; Ugalde, J. M.; Cossio, F. P.

G1 AND G2 STUDY OF THE TRIPLET H-4, C, O, P (+) POTENTIAL-ENERGY SURFACE - MECHANISMS FOR THE REACTION OF P+ (P-3) WITH METHANOL (Journal Article)

In: Journal of Physical Chemistry, vol. 99, no. 32, pp. 12170-12178, 1995, ISSN: 0022-3654, (Cruz, em lopez, x ugalde, jm cossio, fp Cruz, Elso Manuel Cruz/I-4925-2017; Lopez, Xabier/G-5690-2015; Ugalde, Jesus/M-2771-2014 Cruz, Elso Manuel Cruz/0000-0002-9050-0898; Lopez, Xabier/0000-0002-2711-3588; Ugalde, Jesus/0000-0001-8980-9751; Cossio, Fernando P./0000-0002-4526-2122).

(Links | BibTeX)

14.

Largo, A.; Barrientos, C.; Lopez, X.; Cossio, F. P.; Ugalde, J. M.

THEORETICAL-STUDIES OF POSSIBLE PROCESSES FOR THE INTERSTELLAR PRODUCTION OF PHOSPHORUS-COMPOUNDS - THE REACTION OF P+ WITH ACETYLENE (Journal Article)

In: Journal of Physical Chemistry, vol. 99, no. 17, pp. 6432-6440, 1995, ISSN: 0022-3654, (Largo, a barrientos, c lopez, x cossio, fp ugalde, jm Lopez, Xabier/G-5690-2015; Largo, Antonio/K-7746-2014; Largo, Antonio/HGU-9456-2022; Barrientos, Carmen/K-9698-2014; Ugalde, Jesus/M-2771-2014 Lopez, Xabier/0000-0002-2711-3588; Largo, Antonio/0000-0003-4959-4850; Largo, Antonio/0000-0003-4959-4850; Barrientos, Carmen/0000-0003-0078-7379; Ugalde, Jesus/0000-0001-8980-9751; Cossio, Fernando P./0000-0002-4526-2122).

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13.

Lecea, B.; Arrieta, A.; Lopez, X.; Ugalde, J. M.; Cossio, F. P.

ON THE STEREOCHEMICAL OUTCOME OF THE CATALYZED AND UNCATALYZED CYCLOADDITION REACTION BETWEEN ACTIVATED KETENES AND ALDEHYDES TO FORM CIS-2-OXETANONES AND TRANS-2-OXETANONES - AN AB-INITIO STUDY (Journal Article)

In: Journal of the American Chemical Society, vol. 117, no. 49, pp. 12314-12321, 1995, ISSN: 0002-7863, (Lecea, b arrieta, a lopez, x ugalde, jm cossio, fp Lopez, Xabier/G-5690-2015; Ugalde, Jesus/M-2771-2014 Lopez, Xabier/0000-0002-2711-3588; Ugalde, Jesus/0000-0001-8980-9751; Arrieta, Ana Jesus/0000-0002-0580-2542; Cossio, Fernando P./0000-0002-4526-2122 1520-5126).

(Links | BibTeX)

12.

Lopez, X.; Ayerbe, M.; Ugalde, J. M.; Cossio, F. P.

MECHANISMS FOR THE REACTION OF TRIPLEX P+ WITH XH (X=CL, F) - FORMATION OF THE P-X BOND (Journal Article)

In: Journal of Physical Chemistry, vol. 99, no. 18, pp. 6812-6818, 1995, ISSN: 0022-3654, (Lopez, x ayerbe, m ugalde, jm cossio, fp Lopez, Xabier/G-5690-2015; Ugalde, Jesus/M-2771-2014 Lopez, Xabier/0000-0002-2711-3588; Ugalde, Jesus/0000-0001-8980-9751; AYERBE DIAZ, MIRARI/0000-0001-5119-5643; Cossio, Fernando P./0000-0002-4526-2122).

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1994

11.

Largo, A.; Barrientos, C.; Lopez, X.; Ugalde, J. M.

THEORETICAL-STUDY OF THE C2P RADICAL AND (C2P)(+) SPECIES (Journal Article)

In: Journal of Physical Chemistry, vol. 98, no. 15, pp. 3985-3988, 1994, ISSN: 0022-3654, (Largo, a barrientos, c lopez, x ugalde, jm Lopez, Xabier/G-5690-2015; Ugalde, Jesus/M-2771-2014; Barrientos, Carmen/K-9698-2014; Largo, Antonio/K-7746-2014; Largo, Antonio/HGU-9456-2022 Lopez, Xabier/0000-0002-2711-3588; Ugalde, Jesus/0000-0001-8980-9751; Barrientos, Carmen/0000-0003-0078-7379; Largo, Antonio/0000-0003-4959-4850; Largo, Antonio/0000-0003-4959-4850).

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10.

Lopez, X.; Cossio, F. P.; Ugalde, J. M.; Barrientos, C.; Largo, A.

AB-INITIO CHARACTERIZATION OF GASEOUS (CO2P)(+) SPECIES (Journal Article)

In: Journal of Physical Chemistry, vol. 98, no. 9, pp. 2294-2297, 1994, ISSN: 0022-3654, (Lopez, x cossio, fp ugalde, jm barrientos, c largo, a Largo, Antonio/K-7746-2014; Largo, Antonio/HGU-9456-2022; Lopez, Xabier/G-5690-2015; Ugalde, Jesus/M-2771-2014; Barrientos, Carmen/K-9698-2014 Largo, Antonio/0000-0003-4959-4850; Largo, Antonio/0000-0003-4959-4850; Lopez, Xabier/0000-0002-2711-3588; Ugalde, Jesus/0000-0001-8980-9751; Barrientos, Carmen/0000-0003-0078-7379; Cossio, Fernando P./0000-0002-4526-2122).

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9.

Lopez, X.; Irigoras, A.; Ugalde, J. M.; Cossio, F. P.

CHARACTERIZATION OF THE P(+)L(N), ION-MOLECULE CLUSTERS OF THE FIRST-ROW AND SECOND-ROW HYDRIDES (Journal Article)

In: Journal of the American Chemical Society, vol. 116, no. 23, pp. 10670-10678, 1994, ISSN: 0002-7863, (Lopez, x irigoras, a ugalde, jm cossio, fp Ugalde, Jesus/M-2771-2014; Lopez, Xabier/G-5690-2015 Ugalde, Jesus/0000-0001-8980-9751; Lopez, Xabier/0000-0002-2711-3588; Cossio, Fernando P./0000-0002-4526-2122).

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8.

Lopez, X.; Ugalde, J. M.; Cossio, F. P.; Largo, A.; Barrientos, C.

TOPOLOGICAL ANALYSIS OF THE CHARGE-DENSITY FOR PHOSPHORUS ION-MOLECULE COMPLEXES BOUND TO WATER AND AMMONIA MOLECULES (Journal Article)

In: Journal of Physical Chemistry, vol. 98, no. 12, pp. 3148-3153, 1994, ISSN: 0022-3654, (Lopez, x ugalde, jm cossio, fp largo, a barrientos, c Largo, Antonio/K-7746-2014; Ugalde, Jesus/M-2771-2014; Barrientos, Carmen/K-9698-2014; Largo, Antonio/HGU-9456-2022; Lopez, Xabier/G-5690-2015 Largo, Antonio/0000-0003-4959-4850; Ugalde, Jesus/0000-0001-8980-9751; Barrientos, Carmen/0000-0003-0078-7379; Largo, Antonio/0000-0003-4959-4850; Lopez, Xabier/0000-0002-2711-3588; Cossio, Fernando P./0000-0002-4526-2122).

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1993

7.

Cossio, F.; Lecea, B.; Lopez, X.; Roa, G.; Arrieta, A.; Ugalde, J. M.

AN AB-INITIO STUDY ON THE MECHANISM OF THE ALKENE ISOCYANATE CYCLOADDITION REACTION TO FORM BETA-LACTAMS (Journal Article)

In: Journal of the Chemical Society-Chemical Communications, no. 18, pp. 1450-1452, 1993, ISSN: 0022-4936, (Cossio, f lecea, b lopez, x roa, g arrieta, a ugalde, jm Lopez, Xabier/G-5690-2015; Ugalde, Jesus/M-2771-2014 Lopez, Xabier/0000-0002-2711-3588; Ugalde, Jesus/0000-0001-8980-9751; Cossio, Fernando P./0000-0002-4526-2122; Arrieta, Ana Jesus/0000-0002-0580-2542).

(Links | BibTeX)

6.

Cossio, F. P.; Ugalde, J. M.; Lopez, X.; Lecea, B.; Palomo, C.

A SEMIEMPIRICAL THEORETICAL-STUDY ON THE FORMATION OF BETA-LACTAMS FROM KETENES AND IMINES (Journal Article)

In: Journal of the American Chemical Society, vol. 115, no. 3, pp. 995-1004, 1993, ISSN: 0002-7863, (Cossio, fp ugalde, jm lopez, x lecea, b palomo, c Palomo, Claudio/E-6993-2018; Lopez, Xabier/G-5690-2015; Ugalde, Jesus/M-2771-2014 Palomo, Claudio/0000-0001-9809-2799; Lopez, Xabier/0000-0002-2711-3588; Ugalde, Jesus/0000-0001-8980-9751; Cossio, Fernando P./0000-0002-4526-2122).

(Links | BibTeX)

5.

Lopez, X.; Sarasola, C.; Lecea, B.; Largo, A.; Barrientos, C.; Ugalde, J. M.

ABINITIO CHARACTERIZATION OF GASEOUS P2O2 (Journal Article)

In: Journal of Physical Chemistry, vol. 97, no. 16, pp. 4078-4079, 1993, ISSN: 0022-3654, (Lopez, x sarasola, c lecea, b largo, a barrientos, c ugalde, jm Largo, Antonio/HGU-9456-2022; Barrientos, Carmen/K-9698-2014; Ugalde, Jesus/M-2771-2014; Lopez, Xabier/G-5690-2015; Largo, Antonio/K-7746-2014 Largo, Antonio/0000-0003-4959-4850; Barrientos, Carmen/0000-0003-0078-7379; Ugalde, Jesus/0000-0001-8980-9751; Lopez, Xabier/0000-0002-2711-3588; Largo, Antonio/0000-0003-4959-4850).

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4.

Lopez, X.; Ugalde, J. M.; Barrientos, C.; Largo, A.; Redondo, P.

THEORETICAL-STUDY OF POSSIBLE PROCESSES FOR THE INTERSTELLAR PRODUCTION OF PHOSPHORUS-COMPOUNDS - REACTION OF P+ WITH SH2 (Journal Article)

In: Journal of Physical Chemistry, vol. 97, no. 8, pp. 1521-1525, 1993, ISSN: 0022-3654, (Lopez, x ugalde, jm barrientos, c largo, a redondo, p Largo, Antonio/K-7746-2014; Redondo, Pilar/K-8304-2014; Lopez, Xabier/G-5690-2015; Ugalde, Jesus/M-2771-2014; Largo, Antonio/HGU-9456-2022; Barrientos, Carmen/K-9698-2014 Largo, Antonio/0000-0003-4959-4850; Redondo, Pilar/0000-0001-7876-4818; Lopez, Xabier/0000-0002-2711-3588; Ugalde, Jesus/0000-0001-8980-9751; Largo, Antonio/0000-0003-4959-4850; Barrientos, Carmen/0000-0003-0078-7379).

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3.

Lopez, X.; Ugalde, J. M.; Cossio, F. P.; Lecea, B.; Largo, A.; Barrientos, C.

AB-INITIO STUDY OF PHOSPHORUS ION COMPLEXES OF AMMONIA AND WATER (Journal Article)

In: Journal of Physical Chemistry, vol. 97, no. 37, pp. 9337-9340, 1993, ISSN: 0022-3654, (Lopez, x ugalde, jm cossio, fp lecea, b largo, a barrientos, c Largo, Antonio/HGU-9456-2022; Lopez, Xabier/G-5690-2015; Barrientos, Carmen/K-9698-2014; Ugalde, Jesus/M-2771-2014; Largo, Antonio/K-7746-2014 Largo, Antonio/0000-0003-4959-4850; Lopez, Xabier/0000-0002-2711-3588; Barrientos, Carmen/0000-0003-0078-7379; Ugalde, Jesus/0000-0001-8980-9751; Largo, Antonio/0000-0003-4959-4850; Cossio, Fernando P./0000-0002-4526-2122).

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2.

Maiz, J.; Arrieta, A.; Lopez, X.; Ugalde, J. M.; Cossio, F. P.

TRANSITION STRUCTURES FOR THE REFORMATSKY REACTION - A THEORETICAL (MNDO-PM3) STUDY (Journal Article)

In: Tetrahedron Letters, vol. 34, no. 38, pp. 6111-6114, 1993, ISSN: 0040-4039, (Maiz, j arrieta, a lopez, x ugalde, jm cossio, fp Lopez, Xabier/G-5690-2015; Ugalde, Jesus/M-2771-2014 Lopez, Xabier/0000-0002-2711-3588; Ugalde, Jesus/0000-0001-8980-9751; Arrieta, Ana Jesus/0000-0002-0580-2542; Cossio, Fernando P./0000-0002-4526-2122).

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1.

Sarasola, C.; Lopez, X.; Arrieta, A.; Barrientos, C.; Largo, A.; Ugalde, J. M.

ABINITIO CHARACTERIZATION OF NOVEL GASEOUS (PO)2+ SPECIES (Journal Article)

In: Journal of Physical Chemistry, vol. 97, no. 22, pp. 5860-5863, 1993, ISSN: 0022-3654, (Sarasola, c lopez, x arrieta, a barrientos, c largo, a ugalde, jm Barrientos, Carmen/K-9698-2014; Ugalde, Jesus/M-2771-2014; Largo, Antonio/HGU-9456-2022; Largo, Antonio/K-7746-2014; Lopez, Xabier/G-5690-2015 Barrientos, Carmen/0000-0003-0078-7379; Ugalde, Jesus/0000-0001-8980-9751; Largo, Antonio/0000-0003-4959-4850; Largo, Antonio/0000-0003-4959-4850; Lopez, Xabier/0000-0002-2711-3588).

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173 entries « 4 of 4 »