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1

Aminopyrimidine-Based Donor–Acceptor Chromophores: Push–Pull versus Aromatic Behaviour

Alejandro Ortíz, Braulio Insuasty, M. Rosario Torres, M. Ángeles Herranz, Nazario Martín, Rafael Viruela, Enrique Ortí

Journal:

European Journal of Organic Chemistry

Year:

2008

Language:

english

File:

PDF, 393 KB

english, 2008

2

Theoretical study of oligomeric alumatranes present in the chemistry of materials from micro to mesoporous molecular sieves and alumina composites

Lorenzo Fernandez, Pedro Viruela-Martin, Julio Latorre, Carmen Guillem, Aurelio Beltrán, Pedro Amorós

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2008

Language:

english

File:

PDF, 427 KB

english, 2008

3

Personality and deviant peers’ influence on alcohol use in adolescence

Gallego-Moya, M.S., Ibáñez-Ribes, M.I., Mezquita-Guillamón, L., Moya-Higueras, J., Villa-Martín, H., Viruela-Royo, A.M., Camacho-Guerrero, L., Ortet-Fabregat, G.

Journal:

Personality and Individual Differences

Year:

2014

Language:

english

File:

PDF, 34 KB

english, 2014

4

The Role of Planarity vs. Non-Planarity in the Electronic Communication of TCAQ-Based Push-Pull Chromophores

Martin, Nazario, García, Raúl, Calbo, Joaquín, Viruela, Rafael, Herranz, Maria Angeles, Ortí, Enrique

Journal:

Year:

2018

Language:

english

File:

PDF, 1.40 MB

english, 2018

5

Effect of light intensity, light duration and photoperiods in the performance of an outdoor photobioreactor for urban wastewater treatment

González-Camejo, J., Viruela, A., Ruano, M.V., Barat, R., Seco, A., Ferrer, J.

Journal:

Year:

2019

File:

PDF, 1.52 MB

2019

6

Difficulties of density functional theory in predicting the torsional potential of 2,2′-bithiophene

Pedro M. Viruela, Rafael Viruela, Enrique Orti

Journal:

International Journal of Quantum Chemistry

Year:

1998

Language:

english

File:

PDF, 212 KB

english, 1998

7

A New Type of π-Electron Donors with One Dithiole Unit: Substituted 7-(1,3-Dithiol-2-ylidene)-7-hydrobenz[d,e]anthracenes

Nazario Martín, Enrique Ortí, Luis Sánchez, Pedro M. Viruela, Rafael Viruela

Journal:

European Journal of Organic Chemistry

Year:

1999

Language:

english

File:

PDF, 359 KB

english, 1999

8

π Conjugation Across the Tetrathiafulvalene Core: Synthesis of Extended Tetrathiafulvalene Derivatives and Theoretical Analysis of their Unusual Electrochemical Properties

Najoua Terkia-Derdra, Raquel Andreu, Marc Sallé, Eric Levillain, Jesús Orduna, Javier Garín, Enrique Ortí, Rafael Viruela, Rosendo Pou-Amérigo, Bouchta Sahraoui, Alain Gorgues, Jean-François Favard, A

Journal:

Chemistry - A European Journal

Year:

2000

Language:

english

File:

PDF, 378 KB

english, 2000

9

Cluster and Periodic Calculations of the Ethene Protonation Reaction Catalyzed by theta-1 Zeolite: Influence of Method, Model Size, and Structural Constraints

Mercè Boronat, Claudio M. Zicovich-Wilson, Pedro Viruela, Avelino Corma

Journal:

Chemistry - A European Journal

Year:

2001

Language:

english

File:

PDF, 156 KB

english, 2001

10

Magnetic Properties of Quinoidal Oligothiophenes: More Than Good Candidates for Ambipolar Organic Semiconductors?

R. Ponce Ortiz, J. Casado, V. Hernández, J. T. López Navarrete, E. Ortí, P. M. Viruela, B. Milián, S. Hotta, G. Zotti, S. Zecchin, B. Vercelli

Journal:

Advanced Functional Materials

Year:

2006

Language:

english

File:

PDF, 155 KB

english, 2006

11

The First sulfur-containing twin-DCNQI-type acceptor

Mar González, Dr. Pilar De Miguel, Dr. Nazario Martin, Dr. Jose Luis Segura, Prof. Carlos Seoane, Dr. Enrique Orti, Dr. Rafael Viruela, Dr. Pedro M. Viruela

Journal:

Advanced Materials

Year:

1994

Language:

english

File:

PDF, 464 KB

english, 1994

12

Concave Tetrathiafulvalene-Type Donors as Supramolecular Partners for Fullerenes

Emilio M. Pérez, María Sierra, Luis Sánchez, M. Rosario Torres, Rafael Viruela, Pedro M. Viruela, Enrique Ortí, Nazario Martín

Journal:

Angewandte Chemie

Year:

2007

Language:

english

File:

PDF, 376 KB

english, 2007

13

On the Biradicaloid Nature of Long Quinoidal Oligothiophenes: Experimental Evidence Guided by Theoretical Studies

Rocío Ponce Ortiz, Juan Casado, Víctor Hernández, Juan T. López Navarrete, Pedro M. Viruela, Enrique Ortí, Kazuo Takimiya, Tetsuo Otsubo

Journal:

Angewandte Chemie

Year:

2007

Language:

english

File:

PDF, 401 KB

english, 2007

14

Diskrete supramolekulare Donor-Akzeptor-Komplexe

S. Shankara Gayathri, Mateusz Wielopolski, Emilio M. Pérez, Gustavo Fernández, Luis Sánchez, Rafael Viruela, Enrique Ortí, Dirk M. Guldi, Nazario Martín

Journal:

Angewandte Chemie

Year:

2009

Language:

german

File:

PDF, 636 KB

german, 2009

15

Concave Tetrathiafulvalene-Type Donors as Supramolecular Partners for Fullerenes

Emilio M. Pérez, María Sierra, Luis Sánchez, M. Rosario Torres, Rafael Viruela, Pedro M. Viruela, Enrique Ortí, Nazario Martín

Journal:

Angewandte Chemie International Edition

Year:

2007

Language:

english

File:

PDF, 376 KB

english, 2007

16

On the Biradicaloid Nature of Long Quinoidal Oligothiophenes: Experimental Evidence Guided by Theoretical Studies

Rocío Ponce Ortiz, Juan Casado, Víctor Hernández, Juan T. López Navarrete, Pedro M. Viruela, Enrique Ortí, Kazuo Takimiya, Tetsuo Otsubo

Journal:

Angewandte Chemie International Edition

Year:

2007

Language:

english

File:

PDF, 401 KB

english, 2007

17

Discrete Supramolecular Donor–Acceptor Complexes

S. Shankara Gayathri, Mateusz Wielopolski, Emilio M. Pérez, Gustavo Fernández, Luis Sánchez, Rafael Viruela, Enrique Ortí, Dirk M. Guldi, Nazario Martín

Journal:

Angewandte Chemie International Edition

Year:

2009

Language:

english

File:

PDF, 631 KB

english, 2009

18

Highly Conjugated p-Quinonoid π-Extended Tetrathiafulvalene Derivatives: A Class of Highly Distorted Electron Donors

Marta C. Díaz, Beatriz M. Illescas, Nazario Martín, Rafael Viruela, Pedro M. Viruela, Enrique Ortí, Ortwin Brede, Israel Zilbermann, Dirk M. Guldi

Journal:

Chemistry - A European Journal

Year:

2004

Language:

english

File:

PDF, 300 KB

english, 2004

19

A Multisite Molecular Mechanism for Baeyer–Villiger Oxidations on Solid Catalysts Using Environmentally Friendly H2O2 as Oxidant

Mercedes Boronat, Avelino Corma, Michael Renz, Germán Sastre, Pedro M. Viruela

Journal:

Chemistry - A European Journal

Year:

2005

Language:

english

File:

PDF, 241 KB

english, 2005

20

Electronic Interactions in a New π-Extended Tetrathiafulvalene Dimer

Marta C. Díaz, Beatriz M. Illescas, Nazario Martín, Igor F. Perepichka, Martin R. Bryce, Eric Levillain, Rafael Viruela, Enrique Ortí

Journal:

Chemistry - A European Journal

Year:

2006

Language:

english

File:

PDF, 406 KB

english, 2006

21

The Interplay of Inverted Redox Potentials and Aromaticity in the Oxidized States of New π-Electron Donors: 9-(1,3-Dithiol-2-ylidene)fluorene and 9-(1,3-Dithiol-2-ylidene)thioxanthene Derivatives

Samia Amriou, Changsheng Wang, Andrei S. Batsanov, Martin R. Bryce, Dmitrii F. Perepichka, Enrique Ortí, Rafael Viruela, José Vidal-Gancedo, Concepció Rovira

Journal:

Chemistry - A European Journal

Year:

2006

Language:

english

File:

PDF, 373 KB

english, 2006

22

Predicting the Activity of Single Isolated Lewis Acid Sites in Solid Catalysts

Mercedes Boronat, Avelino Corma, Michael Renz, Pedro M. Viruela

Journal:

Chemistry - A European Journal

Year:

2006

Language:

english

File:

PDF, 425 KB

english, 2006

23

Quinoidal Oligothiophenes: Towards Biradical Ground-State Species

Rocío Ponce Ortiz, Juan Casado, Sandra Rodríguez González, Víctor Hernández, Juan T. López Navarrete , Pedro M. Viruela, Enrique Ortí , Kazuo Takimiya, Tetsuo Otsubo

Journal:

Chemistry - A European Journal

Year:

2010

Language:

english

File:

PDF, 790 KB

english, 2010

24

Neutral and Oxidized Triisopropylsilyl End-Capped Oligothienoacenes: A Combined Electrochemical, Spectroscopic, and Theoretical Study

Juan Aragó, Pedro M. Viruela, Enrique Ortí, Reyes Malavé Osuna, Barbara Vercelli, Gianni Zotti, Víctor Hernández, Juan T. López Navarrete, John T. Henssler, Adam J. Matzger, Yoshitake Suzuki, Shigehir

Journal:

Chemistry - A European Journal

Year:

2010

Language:

english

File:

PDF, 409 KB

english, 2010

25

A Fully Conjugated TTF–π–TCAQ System: Synthesis, Structure, and Electronic Properties

Dr. José Santos, Dr. Beatriz M. Illescas, Prof. Dr. Nazario Martín, Dr. Javier Adrio, Prof. Dr. Juan C. Carretero, Dr. Rafael Viruela, Prof. Dr. Enrique Ortí, Dr. Fabian Spänig, Prof. Dr. Dirk M. Guld

Journal:

Chemistry - A European Journal

Year:

2011

Language:

english

File:

PDF, 394 KB

english, 2011

26

Cooperative Supramolecular Polymerization and Amplification of Chirality in C3-Symmetrical OPE-Based Trisamides

Fátima García, Dr. Pedro M. Viruela, Dr. Emilio Matesanz, Prof. Dr. Enrique Ortí, Prof. Dr. Luis Sánchez

Journal:

Chemistry - A European Journal

Year:

2011

Language:

english

File:

PDF, 500 KB

english, 2011

27

ChemInform Abstract: A Theoretical Study on the Mechanism of the Superacid-Catalyzed Unimolecular Isomerization of n-Alkanes and n-Alkenes. Comparison Between ab initio and Density Functional Results

M. BORONAT, P. VIRUELA, A. CORMA

Journal:

Year:

1997

File:

PDF, 26 KB

1997

28

ChemInform Abstract: Reaction of C60 with Sultines: Synthesis, Electrochemistry, and Theoretical Calculations of Organofullerene Acceptors.

B. M. ILLESCAS, N. MARTIN, C. SEOANE, E. ORTI, P. M. VIRUELA, R. VIRUELA, A. DE LA HOZ

Journal:

Year:

1998

Language:

english

File:

PDF, 31 KB

english, 1998

29

Spectroscopic and Theoretical Study of the Molecular and Electronic Structures of a Terthiophene-Based Quinodimethane

Juan Casado, Ted M. Pappenfus, Kent R. Mann, Enrique Ortí, Pedro M. Viruela, Begoña Milián, Víctor Hernández, Juan T. López Navarrete

Journal:

Year:

2004

Language:

english

File:

PDF, 279 KB

english, 2004

30

FT Raman and DFT Study on a Series of All-anti Oligothienoacenes End-Capped with Triisopropylsilyl Groups

Reyes Malavé Osuna, Víctor Hernández, Juan T. López Navarrete, Juan Aragó, Pedro M. Viruela, Enrique Ortí, Yoshitake Suzuki, Shigehiro Yamaguchi, John T. Henssler, Adam J. Matzger

Journal:

Year:

2009

Language:

english

File:

PDF, 488 KB

english, 2009

31

MINDO/3 Study of the Rearrangement of 1-Methylcyclohexyl Cation to 1,2-Dimethylcyclopentyl Cation

P. M. Viruela-Martín, I. Nebot-Gil, F. Tomás, R. Viruela-Martín

Journal:

Journal of Computational Chemistry

Year:

1986

Language:

english

File:

PDF, 697 KB

english, 1986

32

Molecular conformation and electronic structure of 1,1'-bipyrrole. an ab initio approach

E. Ortí, J. Sánchez-Marín, P.M. Viruela-Martín, F. Tomás

Journal:

Chemical Physics Letters

Year:

1986

Language:

english

File:

PDF, 487 KB

english, 1986

33

Theoretical eht study of propene adsorption on model clusters of first series transition metal oxides and MgO

R. Viruela-Martín, I. Nebot-Gil, F. Tomás-Vert, P.M. Viruela- Martín

Journal:

Journal of Molecular Catalysis

Year:

1985

Language:

english

File:

PDF, 808 KB

english, 1985

34

Theoretical EHT study of propene adsorption on model clusters: Part II. Nickel VIIIb and zinc IIb transition metal oxides

Rafael Viruela-Martín, Ignacio Nebot-Gil, Francisco Tomás-Vert, Pedro M. Viruela-Martín

Journal:

Journal of Molecular Catalysis

Year:

1986

Language:

english

File:

PDF, 529 KB

english, 1986

35

Theoretical eht study of isobutene adsorption on model clusters of first series transition metal oxides and MgO

R. Viruela-Martín, I. Nebot-Gil, P.M. Viruela-Martín, E. Ortí

Journal:

Journal of Molecular Catalysis

Year:

1988

Language:

english

File:

PDF, 738 KB

english, 1988

36

ISomerization of xylene: MINDO/3 study of the cyclization of benzenium cation into bicyclo[3.1.0]hexenyl cation

F.Férez Plá, P.M.Viruela Martin, I.Nebot Gil

Journal:

Journal of Molecular Catalysis

Year:

1989

Language:

english

File:

PDF, 1.05 MB

english, 1989

37

Theoretical EHT study of oxidative coupling of methane on pure MgO and MgO doped with Li and Na

P.M. Viruela-Martín, R. Viruela-Martín, C.M. Zicovich-Wilson, F. Tomás-Vert

Journal:

Journal of Molecular Catalysis

Year:

1991

Language:

english

File:

PDF, 800 KB

english, 1991

38

Theoretical study of the mechanism of branching rearrangement of carbenium ions

M. Boronat, P. Viruela, A. Corma

Journal:

Applied Catalysis A: General

Year:

1996

Language:

english

File:

PDF, 954 KB

english, 1996

39

On the electron affinity of TCNQ

Begoña Milián, Rosendo Pou-Amérigo, Rafael Viruela, Enrique Ortı́

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 163 KB

english, 2004

40

A theoretical study of neutral and reduced tetracyano-p-quinodimethane (TCNQ)

Begoña Milián, Rosendo Pou-Amérigo, Rafael Viruela, Enrique Ortí

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2004

Language:

english

File:

PDF, 111 KB

english, 2004

41

Molecular precursors of mesostructured silica materials in the atrane route: A DFT/GIAO/NBO theoretical study

Lorenzo Fernandez, Pedro Viruela-Martin, Julio Latorre, Carmen Guillem, Aurelio Beltrán, Pedro Amorós

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2007

Language:

english

File:

PDF, 484 KB

english, 2007

42

Lowest triplet excited states of a novel heteroleptic iridium(III) complex and their role in the emission colour

Rubén D. Costa, Pedro M. Viruela, Henk J. Bolink, Enrique Ortí

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2009

Language:

english

File:

PDF, 326 KB

english, 2009

43

From linear quaterthiophene to sulflower: A comparative theoretical study

Juan Aragó, Pedro M. Viruela, Enrique Ortí

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2009

Language:

english

File:

PDF, 359 KB

english, 2009

44

Electronic spectra of tetrathiafulvalene and its radical cation: analysis of the performance of the time-dependent DFT approach

Rosendo Pou-Amérigo, Pedro M Viruela, Rafael Viruela, Mercedes Rubio, Enrique Ortı́

Journal:

Chemical Physics Letters

Year:

2002

Language:

english

File:

PDF, 140 KB

english, 2002

45

Theoretical study of the molecular structure and the stability of neutral and reduced tetracyanoethylene

Begoña Milián, Rosendo Pou-Amérigo, Rafael Viruela, Enrique Ortı́

Journal:

Chemical Physics Letters

Year:

2003

Language:

english

File:

PDF, 314 KB

english, 2003

46

Quantum chemistry calculations on the effect of electron confinement upon the frontier molecular orbitals of ethylene and benzene in sodalite. Implications on reactivity

Germán Sastre, Pedro M. Viruela, Avelino Corma

Journal:

Chemical Physics Letters

Year:

1997

Language:

english

File:

PDF, 597 KB

english, 1997

47

Theoretical description of the Raman spectrum of a vinylene-bridged quaterthiophene oligomer

Pedro M. Viruela, Rafael Viruela, Enrique Ortı́, Juan Casado, Victor Hernández, Juan T. López Navarrete

Journal:

Journal of Molecular Structure

Year:

2003

Language:

english

File:

PDF, 166 KB

english, 2003

48

UV–Vis, IR, Raman and theoretical characterization of a novel quinoid oligothiophene molecular material

J. Casado, T.M. Pappenfus, K.R. Mann, B. Milián, E. Ortı́, P.M. Viruela, M.C. Ruiz Delgado, V. Hernández, J.T. López Navarrete

Journal:

Journal of Molecular Structure

Year:

2003

Language:

english

File:

PDF, 186 KB

english, 2003

49

Structural incorporation of nitrogen into zeolites, and alpos: ab initio molecular orbital calculations on stability and basicity

Avelino Corma, Pedro Viruela, Lorenzo Fernández

Journal:

Journal of Molecular Catalysis A: Chemical

Year:

1998

Language:

english

File:

PDF, 237 KB

english, 1998

50

Orbital-controlled reactions catalysed by zeolites: Electrophilic alkylation of aromatics

A. Corma, C. Zicovich-Wilson, P. Viruela

Journal:

Journal of Physical Organic Chemistry

Year:

1994

Language:

english

File:

PDF, 562 KB

english, 1994

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