Ugalde, Jon: search on Z-Library

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1

The effect of TiO 2 surface on the electron injection efficiency in PbS quantum dot solar cells: a first-principles study

Azpiroz, Jon M., Ugalde, Jesus M., Etgar, Lioz, Infante, Ivan, De Angelis, Filippo

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 1.53 MB

english, 2015

2

Quantum Chemical Study of the Reaction between Ni+ and H2S

Oier Lakuntza, Dr. Jon M. Matxain, Prof. Dr. Jesus M. Ugalde

Journal:

Year:

2010

Language:

english

File:

PDF, 291 KB

english, 2010

3

Erratum: “Quantum Monte Carlo study of the ground state and low-lying excited states of the scandium dimer” [J. Chem. Phys. 128, 194315 (2008)]

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

Journal:

The Journal of Chemical Physics

Year:

2010

Language:

english

File:

PDF, 41 KB

english, 2010

4

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

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

Journal:

Journal of Materials Chemistry

Year:

2012

Language:

english

File:

PDF, 728 KB

english, 2012

5

Quantum Dot Photoactivation of Pt(IV) Anticancer Agents: Evidence of an Electron Transfer Mechanism Driven by Electronic Coupling

Infante, Ivan, Azpiroz, Jon M., Blanco, Nina Gomez, Ruggiero, Emmanuel, Ugalde, Jesus M., Mareque-Rivas, Juan C., Salassa, Luca

Journal:

The Journal of Physical Chemistry C

Year:

2014

Language:

english

File:

PDF, 3.53 MB

english, 2014

6

Doped Aluminum Cluster Anions: Size Matters

Jimenez-Izal, Elisa, Moreno, Diego, Mercero, Jose M., Matxain, Jon M., Audiffred, Martha, Merino, Gabriel, Ugalde, Jesus M.

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 2.60 MB

english, 2014

7

Quantum Monte Carlo study of the ground state and low-lying excited states of the scandium dimer

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

Journal:

The Journal of Chemical Physics

Year:

2008

Language:

english

File:

PDF, 295 KB

english, 2008

8

Sandwich Complexes Based on the “All-Metal” Al42− Aromatic Ring

Jose M. Mercero, Elena Formoso, Jon M. Matxain, Leif A. Eriksson, Jesus M. Ugalde

Journal:

Chemistry - A European Journal

Year:

2006

Language:

english

File:

PDF, 350 KB

english, 2006

9

Clusters of Group II−VI Materials: Cd i O i ( i ≤ 15)

Matxain, Jon M., Mercero, Jose M., Fowler, Joseph E., Ugalde, Jesus M.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 277 KB

english, 2003

10

Phosphorylation promotes Al( iii ) binding to proteins: GEGEGSGG as a case study

Grande-Aztatzi, Rafael, Formoso, Elena, Mujika, Jon I., Ugalde, Jesus M., Lopez, Xabier

Journal:

Physical Chemistry Chemical Physics

Year:

2016

Language:

english

File:

PDF, 3.48 MB

english, 2016

11

Clusters of II−VI Materials: Cd i X i , X = S, Se, Te, i ≤ 16

Matxain, Jon M., Mercero, Jose M., Fowler, Joseph E., Ugalde, Jesus M.

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 170 KB

english, 2004

12

Synchronized switching modulation to reduce the DC-link current in SRM drives

Cabezuelo, David, Kortabarria, Inigo, Andreu, Jon, Ugalde, Unai, Blanque, Baldui, Andrada, Pere

Journal:

Year:

2020

Language:

english

File:

PDF, 1.64 MB

english, 2020

13

Thermally Stable Solids Based on Endohedrally Doped ZnS Clusters

Jon M. Matxain, Mario Piris, Xabier Lopez, Jesus M. Ugalde

Journal:

Chemistry - A European Journal

Year:

2009

Language:

english

File:

PDF, 344 KB

english, 2009

14

Magnetic Endohedral Transition-Metal-Doped Semiconduncting-Nanoclusters

Jon M. Matxain, Elena Formoso, Jose M. Mercero, Mario Piris, Xabier Lopez, Jesus M. Ugalde

Journal:

Chemistry - A European Journal

Year:

2008

Language:

english

File:

PDF, 377 KB

english, 2008

15

Endohedral Stannaspherenes Mn@Sn12 and its Dimer: Ferromagnetic or Antiferromagnetic?

Jon M. Matxain, Mario Piris, Elena Formoso, Jose M. Mercero, Xabier Lopez, Jesus M. Ugalde

Journal:

Year:

2007

Language:

english

File:

PDF, 123 KB

english, 2007

16

Benchmark Assessment of Density Functional Methods on Group II–VI MX (M = Zn, Cd; X = S, Se, Te) Quantum Dots

Azpiroz, Jon M., Ugalde, Jesus M., Infante, Ivan

Journal:

Journal of Chemical Theory and Computation

Year:

2014

Language:

english

File:

PDF, 3.88 MB

english, 2014

17

The first solvation shell of aluminum (III) and magnesium (II) cations in a protein model environment

Jose M. Mercero, Jon M. Matxain, Elixabete Rezabal, Xabier Lopez, Jesus M. Ugalde

Journal:

International Journal of Quantum Chemistry

Year:

2004

Language:

english

File:

PDF, 225 KB

english, 2004

18

Effect of Structural Dynamics on the Opto-Electronic Properties of Bare and Hydrated ZnS QDs

Azpiroz, Jon M., Mosconi, Edoardo, Ugalde, Jesus M., De Angelis, Filippo

Journal:

The Journal of Physical Chemistry C

Year:

2014

Language:

english

File:

PDF, 1.96 MB

english, 2014

19

Stability and Aromaticity of B i N i Rings and Fullerenes

Matxain, Jon M., Ugalde, Jesus M., Towler, M. D., Needs, R. J.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 184 KB

english, 2003

20

Reply to “Comment on ‘Chirality-Induced Electron Spin Polarization and Enantiospecific Response in Solid-State Cross-Polarization Nuclear Magnetic Resonance’”

Santos, Jose I., Rivilla, Iván, Cossío, Fernando P., García-García, F. Javier, Matxain, Jon M., Grzeliczak, Marek, Mazinani, Shobeir K. S., Ugalde, Jesus M., Mujica, Vladimiro

Journal:

Year:

2019

Language:

english

File:

PDF, 1.77 MB

english, 2019

21

Diradicals and Diradicaloids in Natural Orbital Functional Theory

Prof. Dr. Xabier Lopez, Dr. Fernando Ruipérez, Prof. Dr. Mario Piris, Dr. Jon M. Matxain, Prof. Dr. Jesus M. Ugalde

Journal:

Year:

2011

Language:

english

File:

PDF, 253 KB

english, 2011

22

Heavy periodane

Azpiroz, Jon M., Moreno, Diego, Ramirez-Manzanares, Alonso, Ugalde, Jesus M., Mendez-Rojas, Miguel Angel, Merino, Gabriel

Journal:

Journal of Molecular Modeling

Year:

2013

Language:

english

File:

PDF, 270 KB

english, 2013

23

Electronic Excitation Energies of Zn i O i Clusters

Matxain, Jon M., Mercero, Jose M., Fowler, Joseph E., Ugalde, Jesus M.

Journal:

Journal of the American Chemical Society

Year:

2003

Language:

english

File:

PDF, 216 KB

english, 2003

24

Small clusters of II-VI materials:

Matxain, Jon M., Fowler, Joseph E., Ugalde, Jesus M.

Journal:

Physical Review A

Year:

2000

Language:

english

File:

PDF, 751 KB

english, 2000

25

Photosensitization mechanism of Cu( ii ) porphyrins

Uranga, Jon, Matxain, Jon M., Lopez, Xabier, Ugalde, Jesus M., Casanova, David

Journal:

Physical Chemistry Chemical Physics

Year:

2017

Language:

english

File:

PDF, 2.24 MB

english, 2017

26

Chirality induced spin selectivity of photoexcited electrons in carbon‐sulfu [n]helicenes

Matxain, Jon M., Ugalde, Jesus M., Mujica, Vladimiro, Allec, Sarah I., Wong, Bryan M., Casanova, David

Journal:

Year:

2019

File:

PDF, 3.59 MB

2019

27

The extended Koopmans’ theorem: Vertical ionization potentials from natural orbital functional theory

Piris, Mario, Matxain, Jon M., Lopez, Xabier, Ugalde, Jesus M.

Journal:

The Journal of Chemical Physics

Year:

2012

Language:

english

File:

PDF, 368 KB

english, 2012

28

clusters

Matxain, Jon M., Irigoras, Arantxa, Fowler, Joseph E., Ugalde, Jesus M.

Journal:

Physical Review A

Year:

2000

Language:

english

File:

PDF, 65 KB

english, 2000

29

Small clusters of group-(II–VI) materials:

Matxain, Jon M., Mercero, Jose M., Fowler, Joseph E., Ugalde, Jesus M.

Journal:

Physical Review A

Year:

2001

Language:

english

File:

PDF, 317 KB

english, 2001

30

The Nature of Chemical Bonds from PNOF5 Calculations

Dr. Jon M. Matxain, Dr. Mario Piris , Dr. Jon Uranga, Dr. Xabier Lopez, Prof. Dr. Gabriel Merino , Prof. Dr. Jesus M. Ugalde

Journal:

Year:

2012

Language:

english

File:

PDF, 1.30 MB

english, 2012

31

Sandwich Complexes of the Metalloaromatic η 3 -Al 3 R 3 Ligand

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

Journal:

Journal of the American Chemical Society

Year:

2009

Language:

english

File:

PDF, 565 KB

english, 2009

32

Structural and optical properties of the naked and passivated Al 5 Au 5 bimetallic nanoclusters

Grande-Aztatzi, Rafael, Formoso, Elena, Mercero, Jose M., Matxain, Jon M., Grabowski, Slawomir J., Ugalde, Jesus M.

Journal:

The Journal of Chemical Physics

Year:

2016

Language:

english

File:

PDF, 5.45 MB

english, 2016

33

Elucidating the 3D structures of Al(III)-Aβ complexes: a template free strategy based on the pre-organization hypothesis

Mujika, Jon Iñaki, Rodríguez-Guerra, Jaime, Lopez, Xabier, Ugalde, Jesus M, Rodríguez-Santiago, Luis, Sodupe, Mariona, Maréchal, Jean-Didier

Journal:

Chemical Science

Year:

2017

Language:

english

File:

PDF, 1.65 MB

english, 2017

34

Chirality induced spin selectivity of photoexcited electrons in carbon‐sulfu [n]helicenes

Matxain, Jon M., Ugalde, Jesus M., Mujica, Vladimiro, Allec, Sarah I., Wong, Bryan M., Casanova, David

Journal:

Year:

2019

Language:

english

File:

PDF, 3.59 MB

english, 2019

35

[IEEE 2019 International Conference on Electrotechnical Complexes and Systems (ICOECS) - Ufa, Russia (2019.10.21-2019.10.25)] 2019 International Conference on Electrotechnical Complexes and Systems (ICOECS) - Choice of Phase Number for a Multiphase Traction Motor to Meet Requirements on Fault Tolerance

Kammermann, Jorg, Bolvashenkov, Igor, Ugalde, Jon Lekuona, Herzog, Hans-Georg

Year:

2019

File:

PDF, 234 KB

2019

36

Mono- and Multidecker Sandwich-Like Complexes of the Tetraazacyclobutadiene Aromatic Ring

Jose M. Mercero, Jon M. Matxain, Jesus M. Ugalde

Journal:

Angewandte Chemie

Year:

2004

Language:

english

File:

PDF, 124 KB

english, 2004

37

Incremental binding free energies of aluminum (III) vs. magnesium (II) complexes

Jose M. Mercero, Jon I. Mujika, Jon M. Matxain, Xabier Lopez, Jesus M. Ugalde

Journal:

Chemical Physics

Year:

2003

Language:

english

File:

PDF, 292 KB

english, 2003

38

Microbial biotransformations in the human distal gut

Bik, Elisabeth M, Ugalde, Juan A, Cousins, Jon, Goddard, Audrey D, Richman, Jessica, Apte, Zachary S

Journal:

British Journal of Pharmacology

Year:

2017

Language:

english

File:

PDF, 951 KB

english, 2017

39

Mono- and Multidecker Sandwich-Like Complexes of the Tetraazacyclobutadiene Aromatic Ring.

Jose M. Mercero, Jon M. Matxain, Jesus M. Ugalde

Journal:

Year:

2004

File:

PDF, 8 KB

2004

40

Quantum Chemical Study of the Reactions between Pd + /Pt + and H 2 O/H 2 S

Lakuntza, Oier, Matxain, Jon M., Ruipérez, Fernando, Ugalde, Jesus M., Armentrout, Peter B.

Journal:

Chemistry - A European Journal

Year:

2013

Language:

english

File:

PDF, 510 KB

english, 2013

41

ALUMINIUM IN BIOLOGICAL ENVIRONMENTS: A COMPUTATIONAL APPROACH

Mujika, Jon I, Rezabal, Elixabete, Mercero, Jose M, Ruipérez, Fernando, Costa, Dominique, Ugalde, Jesus M, Lopez, Xabier

Journal:

Computational and Structural Biotechnology Journal

Year:

2014

Language:

english

File:

PDF, 16.46 MB

english, 2014

42

Mapping the affinity of aluminum( iii ) for biophosphates: interaction mode and binding affinity in 1 : 1 complexes

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

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 4.23 MB

english, 2014

43

clusters

Matxain, Jon M., Irigoras, Arantxa, Fowler, Joseph E., Ugalde, Jesus M.

Journal:

Physical Review A

Year:

2001

Language:

english

File:

PDF, 169 KB

english, 2001

44

Cholesterol–Ceramide Interactions in Phospholipid and Sphingolipid Bilayers As Observed by Positron Annihilation Lifetime Spectroscopy and Molecular Dynamics Simulations

García-Arribas, Aritz B., Axpe, Eneko, Mujika, Jon Iñaki, Mérida, David, Busto, Jon V., Sot, Jesús, Alonso, Alicia, Lopez, Xabier, García, Jose Ángel, Ugalde, Jesus M., Plazaola, Fernando, Goñi, Félix

Journal:

Year:

2016

Language:

english

File:

PDF, 2.36 MB

english, 2016

45

Self-assembling endohedrally doped CdS nanoclusters: new porous solid phases of CdS

Jimenez-Izal, Elisa, Matxain, Jon M., Piris, Mario, Ugalde, Jesus M.

Journal:

Physical Chemistry Chemical Physics

Year:

2012

Language:

english

File:

PDF, 1.62 MB

english, 2012

46

Thermal Stability of Endohedral First-Row Transition-Metal TM@Zn i S i Structures, i = 12, 16

Jimenez-Izal, Elisa, Matxain, Jon M., Piris, Mario, Ugalde, Jesus M.

Journal:

The Journal of Physical Chemistry C

Year:

2011

Language:

english

File:

PDF, 1.47 MB

english, 2011

47

Discordant results on the FeO + + H 2 reaction reconciled by quantum Monte Carlo theory

Matxain, Jon M., Mercero, Jose M., Irigoras, Arantxa, Ugalde *, Jesus M.

Journal:

Molecular Physics

Year:

2004

Language:

english

File:

PDF, 476 KB

english, 2004

48

Mono- and Multidecker Sandwich-Like Complexes of the Tetraazacyclobutadiene Aromatic Ring

Jose M. Mercero, Jon M. Matxain, Jesus M. Ugalde

Journal:

Angewandte Chemie International Edition

Year:

2004

Language:

english

File:

PDF, 125 KB

english, 2004

49

Structure and Properties of ZnS Nanoclusters

Said Hamad, C. Richard A. Catlow, Eleonora Spano, Jon M. Matxain, Jesus M. Ugalde

Journal:

Year:

2005

File:

PDF, 8 KB

2005

50

The one-electron picture in the Piris natural orbital functional 5 (PNOF5)

Piris, Mario, Matxain, Jon M., Lopez, Xabier, Ugalde, Jesus M.

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2013

Language:

english

File:

PDF, 563 KB

english, 2013

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