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1

Parameterization of the torsional potential for calix[4]arene-substituted poly(thiophene)s

Julien Preat, Francisco Rodríguez-Ropero, Juan Torras, Oscar Bertran, David Zanuy, Carlos Alemán

Journal:

Journal of Computational Chemistry

Year:

2010

Language:

english

File:

PDF, 809 KB

english, 2010

2

Incorporation of deMon2k as a new parallel quantum mechanical code for the PUPIL system

Oscar Bertran, S. B. Trickey, Juan Torras

Journal:

Journal of Computational Chemistry

Year:

2010

Language:

english

File:

PDF, 264 KB

english, 2010

3

Theoretical study of the addition of hydrogen halides to olefins: A comparison between (HCl)2 and (HF)2 additions to ethylene

Carmen Clavero, Miquel Duran, Agustí Lledós, Oscar N. Ventura, Juan Bertrán

Journal:

Journal of Computational Chemistry

Year:

1987

Language:

english

File:

PDF, 751 KB

english, 1987

4

Ab initio study of substituent effect on the addition of hydrogen fluoride to fluoroethylenes

Miquel Solà, Agustí Lledós, Miquel Duran, Juan Bertrán, Oscar N. Ventura

Journal:

Journal of Computational Chemistry

Year:

1990

Language:

english

File:

PDF, 1009 KB

english, 1990

5

Analysis of the gas-phase addition of water to formaldehyde: A semiempirical and ab initio study of bifunctional catalysis by H2O

Oscar N. Ventura, Elena L. CoitiñO, Agustí Lledós, Juan Bertran

Journal:

Journal of Computational Chemistry

Year:

1992

Language:

english

File:

PDF, 849 KB

english, 1992

6

Characterization and properties of a polythiophene with a malonic acid dimethyl ester side group

Elaine Armelin, Oscar Bertran, Francesc Estrany, Roser Salvatella, Carlos Alemán

Journal:

European Polymer Journal

Year:

2009

Language:

english

File:

PDF, 934 KB

english, 2009

7

Modelling organic molecular crystals by hybrid quantum mechanical/molecular mechanical embedding

Juan Torras, Stefan Bromley, Oscar Bertran, Francesc Illas

Journal:

Chemical Physics Letters

Year:

2008

Language:

english

File:

PDF, 290 KB

english, 2008

8

On the structural and electronic properties of poly(3-thiophen-3-yl-acrylic acid methyl ester)

Oscar Bertran, Peter Pfeiffer, Juan Torras, Elaine Armelin, Francesc Estrany, Carlos Alemán

Journal:

Year:

2007

Language:

english

File:

PDF, 770 KB

english, 2007

9

Cross-linking in polypyrrole and poly(N-methylpyrrole): Comparative experimental and theoretical studies

Carlos Alemán, Jordi Casanovas, Joan Torras, Oscar Bertrán, Elaine Armelin, Ramón Oliver, Francesc Estrany

Journal:

Year:

2008

Language:

english

File:

PDF, 915 KB

english, 2008

10

Differential Modulation of Electrocardiographic Indices of Ventricular Repolarization Dispersion Depending on the Site of Pacing During Premature Stimulation

PEDRO DAVID ARINI, RICAR DO ALBERTO QUINTEIRO, ESTEBAN RAÚL VALVERDE, GUILLERMO CLAUDIO BERTRÁN, MARCELO OSCAR BIAGETTI

Journal:

Journal of Cardiovascular Electrophysiology

Year:

2001

Language:

english

File:

PDF, 204 KB

english, 2001

11

Hair analysis following chronic smoked-drugs-of-abuse exposure in adults and their toddler: a case report

Esther Papaseit, Xavier Joya, Marta Velasco, Ester Civit, Pau Mota, Marta Bertran, Oriol Vall, Oscar Garcia-Algar

Journal:

Journal of Medical Case Reports

Year:

2011

Language:

english

File:

PDF, 184 KB

english, 2011

12

Water-Chain intervention in the ketonization of vinyl alcohol. An ab initio study

A. Lledós, J. Bertrán, Oscar N. Ventura

Journal:

International Journal of Quantum Chemistry

Year:

1986

Language:

english

File:

PDF, 439 KB

english, 1986

13

Theoretical study of reaction mechanisms for the ketonization of vinyl alcohol in gas phase and aqueous solution

Oscar N. Ventura, Agustí Lledós, Rosanna Bonaccorsi, Juan Bertrán, Jacopo Tomasi

Journal:

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

Year:

1987

Language:

english

File:

PDF, 1.03 MB

english, 1987

14

Electronic properties of poly(thiophene-3-methyl acetate)

Alex L. Gomes, Jordi Casanovas, Oscar Bertran, João Sinézio de C. Campos, Elaine Armelin, Carlos Alemán

Journal:

Journal of Polymer Research

Year:

2011

Language:

english

File:

PDF, 577 KB

english, 2011

15

Structural and electronic properties of poly(3-thiophen-3-yl-acrylic acid)

Oscar Bertran, Elaine Armelin, Juan Torras, Francesc Estrany, Mireia Codina, Carlos Alemán

Journal:

Year:

2008

Language:

english

File:

PDF, 482 KB

english, 2008

16

Evaluation of QT Interval Dispersion in a Multiple Electrodes Recording System versus 12-Lead Standard ECG in an In Vitro Model

Pedro David Arini, Ricardo Alberto Quinteiro, Esteban Raúl Valverde, Guillermo Claudio Bertran, Marcelo Oscar Biagetti

Journal:

Annals of Noninvasive Electrocardiology

Year:

2000

Language:

english

File:

PDF, 731 KB

english, 2000

17

Beat-to-Beat Repolarization Variability Measured by T Wave Spectral Variance Index in Chronic Infarcted Animals

Esteban RaúI Valverde, Ricardo Alberto Quinteiro, Pedro David Arini, Guillermo Claudio Bertrán, Marcelo Oscar Biagetti

Journal:

Annals of Noninvasive Electrocardiology

Year:

2002

Language:

english

File:

PDF, 657 KB

english, 2002

18

Field-Induced Transport in Sulfonated Poly(styrene-co-divinylbenzene) Membranes

Bertran, Oscar, Curcó, David, Torras, Juan, Ferreira, Carlos A., Alemán, Carlos

Journal:

Year:

2010

Language:

english

File:

PDF, 1013 KB

english, 2010

19

Properties of Oligothiophene Dendrimers as a Function of Molecular Architecture and Generation Number

Esther Córdova-Mateo , Dr. Francisco Rodríguez-Ropero, Dr. Oscar Bertran, Prof. Dr. Carlos Alemán

Journal:

Year:

2012

Language:

english

File:

PDF, 669 KB

english, 2012

20

Thermodynamic and stereochemical aspects of the polymerizability of glycolide and lactide

Carlos Alemán, Oscar Bertran, K. N. Houk, Anne Buyle Padías, Henry K. Hall

Journal:

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

Year:

2012

Language:

english

File:

PDF, 626 KB

english, 2012

21

Prevalencia de pacientes con alta complejidad y/o alta dependencia para la gestión de casos en atención primaria

Rosa María López-Pisa, Òscar Mazeres-Ferrer, María Teresa Julià-Nicolas, Carme Bertrán-Pi, Jesús Almeda-Ortega

Journal:

Enfermería Clínica

Year:

2011

File:

PDF, 215 KB

2011

22

On the modeling of aggregates of an optically active regioregular polythiophene

Torras, Juan, Sanchez-Navas, Cristina, Bertran, Oscar, Alemán, Carlos

Journal:

Physical Chemistry Chemical Physics

Year:

2012

Language:

english

File:

PDF, 3.89 MB

english, 2012

23

Computer Simulation of Fifth Generation Dendronized Polymers: Impact of Charge on Internal Organization

Bertran, Oscar, Zhang, Baozhong, Schlüter, A. Dieter, Kröger, Martin, Alemán, Carlos

Journal:

Journal of Physical Chemistry B

Year:

2013

Language:

english

File:

PDF, 713 KB

english, 2013

24

Ultrathin Films of Polypyrrole Derivatives for Dopamine Detection

Fabregat, Georgina, Córdova-Mateo, Esther, Armelin, Elaine, Bertran, Oscar, Alemán, Carlos

Journal:

The Journal of Physical Chemistry C

Year:

2011

Language:

english

File:

PDF, 3.91 MB

english, 2011

25

Hydrogen-Bonding Interactions in 2-Thiophen-3-ylmalonic Acid

Casanovas, Jordi, Bertran, Oscar, Armelin, Elaine, Torras, Juan, Estrany, Francesc, Alemán, Carlos

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 1.15 MB

english, 2008

26

Modeling biominerals formed by apatites and DNA

Guillermo Revilla-López, Jordi Casanovas, Oscar Bertran, Pau Turon…

Journal:

Year:

2013

Language:

english

File:

PDF, 1.37 MB

english, 2013

27

Transport of hydronium ions inside poly(styrene-co-divinyl benzene) cation exchange membranes

Córdova-Mateo, Esther, Bertran, Oscar, Ferreira, Carlos A., Alemán, Carlos

Journal:

Journal of Membrane Science

Year:

2013

Language:

english

File:

PDF, 2.18 MB

english, 2013

28

Controlled Isomerization of a Light-Driven Molecular Motor: A Theoretical Study

Torras, Juan, Rodríguez-Ropero, Francisco, Bertran, Oscar, Alemán, Carlos

Journal:

The Journal of Physical Chemistry C

Year:

2009

Language:

english

File:

PDF, 337 KB

english, 2009

29

Influence of the Temperature on the Proton Transport in Poly(styrene- co -divinylbenzene) Membranes from Molecular Dynamics Simulations

Córdova-Mateo, Esther, Bertran, Oscar, Alemán, Carlos

Journal:

The Journal of Physical Chemistry C

Year:

2014

Language:

english

File:

PDF, 6.01 MB

english, 2014

30

Structural and Electronic Properties of Poly(thiaheterohelicene)s

Torras, Juan, Bertran, Oscar, Alemán, Carlos

Journal:

Journal of Physical Chemistry B

Year:

2009

Language:

english

File:

PDF, 4.28 MB

english, 2009

31

Ab initio study of the structure and reactivity of H2CO.cntdot.H2O.bul.+ and related radical cations

Coitino, Elena L., Lledos, Agusti, Serra, Ramon, Bertran, Juan, Ventura, Oscar N.

Journal:

Journal of the American Chemical Society

Year:

1993

Language:

english

File:

PDF, 695 KB

english, 1993

32

Poly(2-thiophen-3-yl-malonic acid), a Polythiophene with Two Carboxylic Acids Per Repeating Unit

Bertran, Oscar, Armelin, Elaine, Estrany, Francesc, Gomes, Alex, Torras, Juan, Alemán, Carlos

Journal:

Journal of Physical Chemistry B

Year:

2010

Language:

english

File:

PDF, 4.86 MB

english, 2010

33

Theoretical study of the addition of hydrogen halides to olefins: reaction of dimeric hydrogen fluoride with ethylene

Clavero, Carmen., Duran, Miquel., Lledos, Agusti., Ventura, Oscar N., Bertran, Juan.

Journal:

Journal of the American Chemical Society

Year:

1986

Language:

english

File:

PDF, 774 KB

english, 1986

34

Modeling the Structural and Electronic Properties of an Optically Active Regioregular Polythiophene

Bertran, Oscar, Torras, Juan, Alemán, Carlos

Journal:

The Journal of Physical Chemistry C

Year:

2010

Language:

english

File:

PDF, 2.58 MB

english, 2010

35

Interactions in dendronized polymers: intramolecular dominates intermolecular

Córdova-Mateo, Esther, Bertran, Oscar, Zhang, Baozhong, Vlassopoulos, Dimitris, Pasquino, Rossana, Schlüter, A. Dieter, Kröger, Martin, Alemán, Carlos

Journal:

Year:

2014

Language:

english

File:

PDF, 2.29 MB

english, 2014

36

Atomistic organization and characterization of tube-like assemblies comprising peptide–polymer conjugates: computer simulation studies

Bertran, Oscar, Curcó, David, Zanuy, David, Alemán, Carlos

Journal:

Faraday Discussions

Year:

2013

Language:

english

File:

PDF, 1.55 MB

english, 2013

37

DNA adsorbed on hydroxyapatite surfaces

del Valle, Luis J., Bertran, Oscar, Chaves, Gustavo, Revilla-López, Guillermo, Rivas, Manuel, Casas, María T., Casanovas, Jordi, Turon, Pau, Puiggalí, Jordi, Alemán, Carlos

Journal:

Journal of Materials Chemistry B

Year:

2014

Language:

english

File:

PDF, 2.73 MB

english, 2014

38

Modeling Nanosized Single Molecule Objects: Dendronized Polymers Adsorbed onto Mica

Bertran, Oscar, Zhang, Baozhong, Schlüter, A. Dieter, Kröger, Martin, Alemán, Carlos

Journal:

The Journal of Physical Chemistry C

Year:

2015

Language:

english

File:

PDF, 466 KB

english, 2015

39

Internal organization of macromonomers and dendronized polymers based on thiophene dendrons

Córdova-Mateo, Esther, Bertran, Oscar, Schlüter, A. Dieter, Kröger, Martin, Alemán, Carlos

Journal:

Year:

2015

Language:

english

File:

PDF, 1.23 MB

english, 2015

40

An experimental-computer modeling study of inorganic phosphates surface adsorption on hydroxyapatite particles

Rivas, Manuel, Casanovas, Jordi, del Valle, Luis J., Bertran, Oscar, Revilla-López, Guillermo, Turon, Pau, Puiggalí, Jordi, Alemán, Carlos

Journal:

Dalton Transactions

Year:

2015

Language:

english

File:

PDF, 3.76 MB

english, 2015

41

Solvatochromism of dye-labeled dendronized polymers of generation numbers 1–4: comparison to dendrimers

Gstrein, Chiara, Zhang, Baozhong, Abdel-Rahman, Mona Ahmed, Bertran, Oscar, Alemán, Carlos, Wegner, Gerhard, Schlüter, A. Dieter

Journal:

Chemical Science

Year:

2016

Language:

english

File:

PDF, 1.05 MB

english, 2016

42

Dissolving Hydroxyolite: A DNA Molecule into Its Hydroxyapatite Mold

Bertran, Oscar, Revilla-López, Guillermo, Casanovas, Jordi, del Valle, Luis J., Turon, Pau, Puiggalí, Jordi, Alemán, Carlos

Journal:

Chemistry - A European Journal

Year:

2016

Language:

english

File:

PDF, 1.98 MB

english, 2016

43

Surviving Mass Extinctions through Biomineralized DNA

Turon, Pau, Puiggalí, Jordi, Bertrán, Oscar, Alemán, Carlos

Journal:

Chemistry - A European Journal

Year:

2015

Language:

english

File:

PDF, 4.42 MB

english, 2015

44

Synergistic Approach to Elucidate the Incorporation of Magnesium Ions into Hydroxyapatite

Bertran, Oscar, Valle, Luis J. del, Revilla-López, Guillermo, Rivas, Manuel, Chaves, Gustavo, Casas, Maria T., Casanovas, Jordi, Turon, Pau, Puiggalí, Jordi, Alemán, Carlos

Journal:

Chemistry - A European Journal

Year:

2015

Language:

english

File:

PDF, 1.62 MB

english, 2015

45

Effects of hydroxyapatite (0001) Ca 2+ /Mg 2+ substitution on adsorbed d -ribose ring puckering

Revilla-López, Guillem, Bertran, Oscar, Casanovas, Jordi, Turon, Pau, Puiggalí, Jordi, Alemán, Carlos

Journal:

Year:

2016

Language:

english

File:

PDF, 2.16 MB

english, 2016

46

Aromatic ionene topology and counterion-tuned gelation of acidic aqueous solutions

Bachl, Jürgen, Bertran, Oscar, Mayr, Judith, Alemán, Carlos, Díaz Díaz, David

Journal:

Year:

2017

Language:

english

File:

PDF, 4.59 MB

english, 2017

47

Role of the Transforming Growth Factor-β in regulating hepatocellular carcinoma oxidative metabolism

Soukupova, Jitka, Malfettone, Andrea, Hyroššová, Petra, Hernández-Alvarez, María-Isabel, Peñuelas-Haro, Irene, Bertran, Esther, Junza, Alexandra, Capellades, Jordi, Giannelli, Gianluigi, Yanes, Oscar,

Journal:

Scientific Reports

Year:

2017

Language:

english

File:

PDF, 5.07 MB

english, 2017

48

Cationic ionene as n-dopant agent of poly(3,4-ethylenedioxythiophene)

Saborio, Mari Cruz G, Bertran, Oscar, Lanzalaco, Sonia, Haering, Marleen, Díaz Díaz, David, Estrany, Francesc, Aleman, Carlos

Journal:

Physical Chemistry Chemical Physics

Year:

2018

Language:

english

File:

PDF, 3.05 MB

english, 2018

49

Hydroxyapatite with Permanent Electrical Polarization: Preparation, Characterization and Response Against Inorganic Adsorbates

Rivas, Manuel, del Valle, Luis J, Armelin, Elaine, Bertran, Oscar, Turon, Pau, Puiggali, Jordi, Aleman, Carlos

Journal:

Year:

2018

Language:

english

File:

PDF, 2.06 MB

english, 2018

50

Isomeric cationic ionenes as n-dopant agents of poly(3,4-ethylenedioxythiophene) for in situ gelation

Saborío, Maricruz G., Bertran, Oscar, Lanzalaco, Sonia, Häring, Marleen, Franco, Lourdes, Puiggalí, Jordi, Díaz, David Díaz, Estrany, Francesc, Alemán, Carlos

Journal:

Year:

2018

Language:

english

File:

PDF, 4.75 MB

english, 2018