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1

Monte Carlo study of the relation between vacancy diffusion and domain growth in two-dimensional binary alloys

Frontera, Carlos, Vives, Eduard, Planes, Antoni

Journal:

Physical Review B

Year:

1993

Language:

english

File:

PDF, 305 KB

english, 1993

2

Synthesis, X-ray characterization and DFT studies of bis-N-imidazolylpyrimidine salts: the prominent role of hydrogen bonding and anion–π interactions

Orvay, Francisca, Bauzá, Antonio, Barceló-Oliver, Miquel, García-Raso, Angel, Fiol, Joan J., Costa, Antoni, Molins, Elies, Mata, Ignasi, Frontera, Antonio

Journal:

Year:

2014

Language:

english

File:

PDF, 15.92 MB

english, 2014

3

Comment on ‘‘Kinetics of spinodal decomposition in the Ising model with vacancy diffusion’’

Frontera, Carlos, Vives, Eduard, Castán, Teresa, Planes, Antoni

Journal:

Physical Review B

Year:

1996

Language:

english

File:

PDF, 93 KB

english, 1996

4

Monte Carlo simulation of interface alloying

Frontera, Carlos, Vives, Eduard, Castán, Teresa, Planes, Antoni

Journal:

Physical Review B

Year:

1995

Language:

english

File:

PDF, 339 KB

english, 1995

5

DABCO-Directed Self-Assembly of Bisporphyrins (DABCO=1,4-Diazabicyclo[2.2.2]octane)

Pablo Ballester, Antoni Costa, Ana M. Castilla, Pere M. Deyà, Antonio Frontera, Rosa M. Gomila, Christopher A. Hunter

Journal:

Chemistry - A European Journal

Year:

2005

Language:

english

File:

PDF, 239 KB

english, 2005

6

A Topological Analysis of the Electron Density in Anion–π Interactions

Carolina Garau, Antonio Frontera, David Quiñonero, Pablo Ballester, Antoni Costa, Pere M. Deyà

Journal:

Year:

2003

Language:

english

File:

PDF, 142 KB

english, 2003

7

Interplay Between Cation–π, Anion–π and π–π Interactions

David Quiñonero, Antonio Frontera, Carolina Garau, Pablo Ballester, Antoni Costa, Pere M. Deyà

Journal:

Year:

2006

Language:

english

File:

PDF, 136 KB

english, 2006

8

A Theoretical ab initio Study of the Capacity of Several Binding Units for the Molecular Recognition of Anions

Carolina Garau, Antonio Frontera, Pablo Ballester, David Quiñonero, Antoni Costa, Pere M. Deyà

Journal:

European Journal of Organic Chemistry

Year:

2005

Language:

english

File:

PDF, 133 KB

english, 2005

9

Crystallographic and Theoretical Evidence of Anion–π and Hydrogen-Bonding Interactions in a Squaramide–Nitrate Salt

Carmen Rotger, Bartomeu Soberats, David Quiñonero, Antonio Frontera, Pablo Ballester, Jordi Benet-Buchholz, Pere M. Deyà, Antoni Costa

Journal:

European Journal of Organic Chemistry

Year:

2008

Language:

english

File:

PDF, 497 KB

english, 2008

10

The generation of C,O,O-trilithiated derivatives of dihydric phenols

José M. Saá, Jeroni Morey, Guillem Suñer, Antoni Frontera, Antoni Costa

Journal:

Tetrahedron Letters

Year:

1991

Language:

english

File:

PDF, 264 KB

english, 1991

11

Ab initio investigations of lithium diffusion in single-walled carbon nanotubes

Carolina Garau, Antonio Frontera, David Quiñonero, Antoni Costa, Pablo Ballester, Pere M Deyà

Journal:

Chemical Physics

Year:

2004

Language:

english

File:

PDF, 515 KB

english, 2004

12

Structural and energetic features of single-walled carbon nanotube junctions: a theoretical ab initio study

Carolina Garau, Antonio Frontera, David Quiñonero, Antoni Costa, Pablo Ballester, Pere M Deyà

Journal:

Chemical Physics

Year:

2004

Language:

english

File:

PDF, 243 KB

english, 2004

13

Cation-π vs anion-π interactions: a complete π-orbital analysis

Carolina Garau, Antonio Frontera, David Quiñonero, Pablo Ballester, Antoni Costa, Pere M. Deyà

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 435 KB

english, 2004

14

Counterintuitive affinity of [2.2]paracyclophane to cations

David Quiñonero, Antonio Frontera, Carolina Garau, Pau Ballester, Antoni Costa, Pere M. Deyà, Fabio Pichierri

Journal:

Chemical Physics Letters

Year:

2005

Language:

english

File:

PDF, 160 KB

english, 2005

15

Ab initio investigations of lithium insertion in boron and nitrogen-doped single-walled carbon nanotubes

David Quiñonero, Antonio Frontera, Carolina Garau, Antoni Costa, Pablo Ballester, Pere M. Deyà

Journal:

Chemical Physics Letters

Year:

2005

Language:

english

File:

PDF, 428 KB

english, 2005

16

A theoretical ab initio study of [n.n]paracyclophane complexes with cations

Antonio Frontera, David Quiñonero, Carolina Garau, Pablo Ballester, Antoni Costa, Pere M. Deyà, Fabio Pichierri

Journal:

Chemical Physics Letters

Year:

2006

Language:

english

File:

PDF, 263 KB

english, 2006

17

Squaramide as a binding unit in molecular recognition

David Quiñonero, Antonio Frontera, Guillem A. Suñer, Jeroni Morey, Antoni Costa, Pau Ballester, Pere M. Deyà

Journal:

Chemical Physics Letters

Year:

2000

Language:

english

File:

PDF, 193 KB

english, 2000

18

s-Tetrazine as a new binding unit in molecular recognition of anions

Carolina Garau, David Quiñonero, Antonio Frontera, Antoni Costa, Pau Ballester, Pere M Deyà

Journal:

Chemical Physics Letters

Year:

2003

Language:

english

File:

PDF, 206 KB

english, 2003

19

Lithium diffusion in single-walled carbon nanotubes: a theoretical study

Carolina Garau, Antonio Frontera, David Quiñonero, Antoni Costa, Pau Ballester, Pere M. Deyà

Journal:

Chemical Physics Letters

Year:

2003

Language:

english

File:

PDF, 520 KB

english, 2003

20

Internal rotation in squaramide and related compounds. A theoretical ab initio study

Pere M. Deyà, Antonio Frontera, Guillem A. Suñer, David Quiñonero, Carolina Garau, Antoni Costa, Pau Ballester

Journal:

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

Year:

2002

Language:

english

File:

PDF, 255 KB

english, 2002

21

MP2 Study of synergistic effects between X–H/π (X = C,N,O) and π–π interactions

David Quiñonero, Antonio Frontera, Daniel Escudero, Pablo Ballester, Antoni Costa, Pere M. Deyà

Journal:

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

Year:

2008

Language:

english

File:

PDF, 551 KB

english, 2008

22

Squaramido-based receptors: applicability of molecular interaction potential to molecular recognition of polyalkylammonium compounds

David Quiñonero, Antonio Frontera, Salvador Tomàs, Guillem A. Suñer, Jeroni Morey, Antoni Costa, Pau Ballester, Pere M. Deyà

Journal:

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

Year:

2000

Language:

english

File:

PDF, 1.16 MB

english, 2000

23

A topological analysis of charge density in complexes between derivatives of squaric acid and ammonium cation

David Quiñonero, Antonio Frontera, Pau Ballester, Carolina Garau, Antoni Costa, Pere M. Deyà

Journal:

Chemical Physics Letters

Year:

2001

Language:

english

File:

PDF, 194 KB

english, 2001

24

Concomitant carcinoma in situ and tumour size are prognostic factors for bladder recurrence after nephroureterectomy for upper tract transitional cell carcinoma

Enrique Pieras, Guillermo Frontera, Xavi Ruiz, Antoni Vicens, Mariano Ozonas, Pedro Pizá

Journal:

BJU International

Year:

2010

Language:

english

File:

PDF, 225 KB

english, 2010

25

Antiphase domain growth in BCC metallic alloys via vacancies

Carlos Frontera, Eduard Vives, Antoni Planes

Journal:

Zeitschrift für Physik B Condensed Matter

Year:

1994

Language:

english

File:

PDF, 727 KB

english, 1994

26

DABCO-Induced Self-Assembly of a Trisporphyrin Double-Decker Cage: Thermodynamic Characterization and Guest Recognition

Ballester, Pablo, Oliva, Ana I., Costa, Antoni, Deyà, Pere M., Frontera, Antonio, Gomila, Rosa M., Hunter, Christopher A.

Journal:

Journal of the American Chemical Society

Year:

2006

Language:

english

File:

PDF, 348 KB

english, 2006

27

TRAMOMTANA (Tratamiento Multidisciplinar de la Obesidad Mórbida: Medicamentos, Terapia de comportamiento, Apoyo Nutricional y Actividad física). De la pregunta a la realidad de un ensayo clínico investigador iniciado (II)

Juan Tur, Maria Alòs, Lourdes Iglesias, Lourdes Luque, Antoni Colom, Antonio Escudero, David Martínez, Alberto Pagán, Elena Ugarriza, Marga Frontera, Gabriela Nicola, Antonio Palomero, Santiago Tofé,

Journal:

Endocrinología y Nutrición

Year:

2011

File:

PDF, 192 KB

2011

28

TRAMOMTANA (Multidisciplinary treatment of morbid obesity: Medication, behavioral therapy, nutritional support, and physical activity). From question to reality in an investigator-initiated clinical trial (II)

Juan Tur, Maria Alòs, Lourdes Iglesias, Lourdes Luque, Antoni Colom, Antonio Escudero, David Martínez, Alberto Pagán, Elena Ugarriza, Marga Frontera, Gabriela Nicola, Antonio Palomero, Santiago Tofé,

Journal:

Endocrinología y Nutrición (English Edition)

Year:

2011

File:

PDF, 214 KB

2011

29

Cation−π versus Anion−π Interactions: Energetic, Charge Transfer, and Aromatic Aspects

Garau, Carolina, Frontera, Antonio, Quiñonero, David, Ballester, Pablo, Costa, Antoni, Deyà, Pere M.

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 65 KB

english, 2004

30

Anion−π Interactions in Four-Membered Rings

Estarellas, Carolina, Rotger, M. Carmen, Capó, Magdalena, Quiñonero, David, Frontera, Antonio, Costa, Antoni, Deyà, Pere M.

Journal:

Organic Letters

Year:

2009

Language:

english

File:

PDF, 1.25 MB

english, 2009

31

Induced-Polarization Energy Map: A Helpful Tool for Predicting Geometric Features of Anion-π Complexes

Escudero, Daniel, Frontera, Antonio, Quiñonero, David, Costa, Antoni, Ballester, Pablo, Deyà, Pere M.

Journal:

Journal of Chemical Theory and Computation

Year:

2007

Language:

english

File:

PDF, 699 KB

english, 2007

32

Self-Assembly, Binding, and Dynamic Properties of Heterodimeric Porphyrin Macrocycles

Ballester, Pablo, Costa, Antoni, Deyà, Pere M., Frontera, Antonio, Gomila, Rosa M., Oliva, Ana I., Sanders, Jeremy K. M., Hunter, Christopher A.

Journal:

Journal of Organic Chemistry

Year:

2005

Language:

english

File:

PDF, 277 KB

english, 2005

33

Structure and Binding Energy of Anion−π and Cation−π Complexes: A Comparison of MP2, RI-MP2, DFT, and DF-DFT Methods

Quiñonero, David, Garau, Carolina, Frontera, Antonio, Ballester, Pablo, Costa, Antoni, Deyà, Pere M.

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 190 KB

english, 2005

34

Solid-State Redox Chemistry: Preparation of 1,4-Naphthoquinone, Hydroquinone, and the Corresponding Mixed Quinhydrone in the Solid State

Morey, Jeroni, Frontera, Antoni

Journal:

Journal of Chemical Education

Year:

1995

Language:

english

File:

PDF, 977 KB

english, 1995

35

Magnetocaloric effect in the low hysteresis Ni-Mn-In metamagnetic shape-memory Heusler alloy

Stern-Taulats, Enric, Castillo-Villa, Pedro O., Mañosa, Lluís, Frontera, Carlos, Pramanick, Sabyasachi, Majumdar, Subham, Planes, Antoni

Journal:

Journal of Applied Physics

Year:

2014

Language:

english

File:

PDF, 1.23 MB

english, 2014

36

Barocaloric and magnetocaloric effects in

Stern-Taulats, Enric, Planes, Antoni, Lloveras, Pol, Barrio, Maria, Tamarit, Josep-Lluís, Pramanick, Sabyasachi, Majumdar, Subham, Frontera, Carlos, Mañosa, Lluís

Journal:

Physical Review B

Year:

2014

Language:

english

File:

PDF, 836 KB

english, 2014

37

Elastocaloric and magnetocaloric effects in Ni-Mn-Sn(Cu) shape-memory alloy

Castillo-Villa, Pedro O., Mañosa, Lluís, Planes, Antoni, Soto-Parra, Daniel E., Sánchez-Llamazares, J. L., Flores-Zúñiga, H., Frontera, Carlos

Journal:

Journal of Applied Physics

Year:

2013

Language:

english

File:

PDF, 1.04 MB

english, 2013

38

MP2 study of cooperative effects between cation??, anion?? and ??? interactions

Frontera, Antonio, Qui?onero, David, Costa, Antoni, Ballester, Pablo, Dey?, Pere M.

Journal:

New Journal of Chemistry

Year:

2007

Language:

english

File:

PDF, 656 KB

english, 2007

39

MP2 Study of Cation−(π) n −π Interactions ( n = 1−4)

Frontera, Antonio, Quiñonero, David, Garau, Carolina, Costa, Antoni, Ballester, Pablo, Deyà, Pere M.

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 103 KB

english, 2006

40

Origin of the regioselective lithiation of 1,3-disubstituted heteroatom aromatics. MNDO evidence for bidentate complexation

Saa, Jose M., Deya, Pere M., Suner, Guillem A., Frontera, Antoni

Journal:

Journal of the American Chemical Society

Year:

1992

Language:

english

File:

PDF, 3.41 MB

english, 1992

41

Weak C−H/π Interaction Participates in the Diastereoselectivity of a Host−Guest Complex in the Presence of Six Strong Hydrogen Bonds

Frontera, Antonio, Garau, Carolina, Quiñonero, David, Ballester, Pablo, Costa, Antoni, Deyà, Pere M.

Journal:

Organic Letters

Year:

2003

Language:

english

File:

PDF, 140 KB

english, 2003

42

Approximate Additivity of Anion−π Interactions: An Ab Initio Study on Anion−π, Anion−π 2 and Anion−π 3 Complexes

Garau, Carolina, Quiñonero, David, Frontera, Antonio, Ballester, Pablo, Costa, Antoni, Deyà, Pere M.

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 123 KB

english, 2005

43

Dual Binding Mode of s -Triazine to Anions and Cations

Garau, Carolina, Quiñonero, David, Frontera, Antonio, Ballester, Pablo, Costa, Antoni, Deyà, Pere M.

Journal:

Organic Letters

Year:

2003

Language:

english

File:

PDF, 47 KB

english, 2003

44

Rational Design, Synthesis, and Application of a New Receptor for the Molecular Recognition of Tricarboxylate Salts in Aqueous Media

Frontera, Antonio, Morey, Jeroni, Oliver, Antònia, Piña, M. Neus, Quiñonero, David, Costa, Antoni, Ballester, Pablo, Deyà, Pere M., Anslyn, Eric V.

Journal:

Journal of Organic Chemistry

Year:

2006

Language:

english

File:

PDF, 551 KB

english, 2006

45

Conformational Preferences and Self-Template Macrocyclization of Squaramide-Based Foldable Modules

Rotger, M. Carmen, Piña, M. Neus, Frontera, Antonio, Martorell, Gabriel, Ballester, Pablo, Deyà, Pere M., Costa, Antoni

Journal:

Journal of Organic Chemistry

Year:

2004

Language:

english

File:

PDF, 157 KB

english, 2004

46

Thermodynamic Characterization of the Self-Assembly Process of a Three Component Heterobimetallic Bisporphyrin Macrocycle

González-Álvarez, Almudena, Frontera, Antoni, Ballester, Pablo

Journal:

Journal of Physical Chemistry B

Year:

2009

Language:

english

File:

PDF, 3.06 MB

english, 2009

47

Ab Initio Study of [ n . n ]Paracyclophane ( n = 2, 3) Complexes with Cations: Unprecedented Through-Space Substituent Effects

Frontera, Antonio, Quiñonero, David, Garau, Carolina, Costa, Antoni, Ballester, Pablo, Deyà, Pere M.

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 286 KB

english, 2006

48

Order-disorder transitions of Cu-Al-Mn shape-memory alloys

Obradó, Eduard, Frontera, Carlos, Mañosa, Lluís, Planes, Antoni

Journal:

Physical Review B

Year:

1998

Language:

english

File:

PDF, 225 KB

english, 1998

49

B binary alloys

Frontera, Carlos, Vives, Eduard, Castán, Teresa, Planes, Antoni

Journal:

Physical Review B

Year:

1997

Language:

english

File:

PDF, 435 KB

english, 1997

50

Ordering Processes in FCC and BCC Binary Alloys: A Comparative Study

Frontera, Carlos, Vives, Eduard, Castán, Teresa, Planes, Antoni

Journal:

Materials Science Forum

Year:

1998

File:

PDF, 478 KB

1998