Zobrazeno 1 - 10
of 88
pro vyhledávání: '"Pedro M. Viruela"'
Autor:
Fátima García, Luis Sánchez, Julia Buendía, Pedro M. Viruela, Juan Aragó, Enrique Ortí, Joaquín Calbo
Publikováno v:
Chemical communications (Cambridge, England). 52(42)
The cooperative supramolecular polymerization of 1 and 2 yields P- or M-type helical aggregates depending on the absolute configuration (S or R) of the stereogenic centres attached to the side chains. The connectivity of the amide group does not affe
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6c328042ace2d05723abe84d687753a7
https://pubmed.ncbi.nlm.nih.gov/27142262
https://pubmed.ncbi.nlm.nih.gov/27142262
Autor:
John E. Anthony, Juan Aragó, Enrique Ortí, Juan T. López Navarrete, Christopher R. Swartz, Pedro M. Viruela, Víctor Hernández, Reyes Malavé Osuna
Publikováno v:
Theoretical Chemistry Accounts. 128:521-530
This work presents an analysis of the evolution of the molecular, vibrational and optical properties of a family of functionalized pentacenes. The analysis is performed on the basis of DFT quantum-chemical calculations in combination with spectroscop
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::56c8a25e4915908be7455e74b01283ba
https://doi.org/10.1007/s00214-010-0821-8
https://doi.org/10.1007/s00214-010-0821-8
Autor:
Reyes Malavé Osuna, Víctor Hernández, Yoshitake Suzuki, Adam J. Matzger, Juan T. López Navarrete, Shigehiro Yamaguchi, Pedro M. Viruela, Juan Aragó, John T. Henssler, Enrique Ortí
Publikováno v:
ChemPhysChem. 10:3069-3076
minal a positions. These substituents aid in purification and solution processability, and can be removed under mild chemical conditions. For the first time, we have the opportunity to analyze a series of oligothienoacenes to gain insight into the fu
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cb2ccb5a657d7f12ae5c84894047c467
https://doi.org/10.1002/cphc.200900440
https://doi.org/10.1002/cphc.200900440
Publikováno v:
Journal of Molecular Structure: THEOCHEM. 912:21-26
The [Ir(ppy-F 2 ) 2 Me 4 phen] +1 complex, where ppy-F 2 is 2-(2′,4′-fluorophenyl)pyridine and Me 4 phen is 3,4,7,8-tetramethyl-1,10-phenanthroline, has been theoretically investigated by means of DFT calculations. The molecular and electronic pr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6ca3f59c0962caeccc121725ff838cc9
https://doi.org/10.1016/j.theochem.2009.02.031
https://doi.org/10.1016/j.theochem.2009.02.031
Publikováno v:
Journal of Molecular Structure: THEOCHEM. 912:27-31
In this paper, we report a theoretical study of four types of thiophene-based oligomers showing the same number of C C double bonds and very different molecular structures. The comparative study has been performed on the basis of B3LYP/6-31G∗∗ ca
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e72a3ce1ef27aedce560baa5894a9ddd
https://doi.org/10.1016/j.theochem.2009.03.021
https://doi.org/10.1016/j.theochem.2009.03.021
Autor:
Enrique Ortí, Nazario Martín, Emilio M. Pérez, Pedro M. Viruela, Juan Luis López, Rafael Viruela
Publikováno v:
Repositorio Institucional del Instituto Madrileño de Estudios Avanzados en Nanociencia
instname
instname
We employ a combination of urea-urea hydrogen bonds and pi-pi stacking interactions to obtain soluble self-assembled nanotubes decorated with electron-donor TTF derivatives on the periphery. We have investigated the structure and stability of the nan
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1af5eff22c8375ee430e35563c466581
https://doi.org/10.1021/ol901695m
https://doi.org/10.1021/ol901695m
Autor:
Nazario Martín, M. Rosario Torres, María Teresa Mata Sierra, Emilio M. Pérez, Enrique Ortí, Luis Sánchez, Rafael Viruela, Pedro M. Viruela
Publikováno v:
Angewandte Chemie. 119:1879-1883
The cap fits! A new class of concave π-extended tetrathiafulvalene (TTF) derivatives, truxene-TTFs, were prepared and characterized, and their self-assembly with fullerenes was investigated (see picture). Truxene-TTFs represent the first example of
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1c659a21d5d9638cf92b1d8b07bbf192
https://doi.org/10.1002/ange.200604327
https://doi.org/10.1002/ange.200604327
Autor:
Pedro M. Viruela, Enrique Ortí, Julia Guilleme, Joaquín Calbo, María José Mayoral, Juan Aragó, David González-Rodríguez, Tomás Torres
Publikováno v:
Repositorio Institucional del Instituto Madrileño de Estudios Avanzados en Nanociencia
Universidad de Alicante (UA)
Biblos-e Archivo. Repositorio Institucional de la UAM
instname
Universidad de Alicante (UA)
Biblos-e Archivo. Repositorio Institucional de la UAM
instname
This is the peer reviewed version of the following article: Angewandte Chemie - International Edition 54.8 (2015): 2543-2547, which has been published in final form at http://dx.doi.org/10.1002/anie.201411272. This article may be used for non-commerc
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5423dffd24a2d7c3e97ad986ab819b7e
https://hdl.handle.net/10486/672460
https://hdl.handle.net/10486/672460
Autor:
Enrique Ortí, Begoña Milián, Barbara Vercelli, Sandro Zecchin, Shu Hotta, Juan Casado, Víctor Hernández, J.T. López Navarrete, R. Ponce Ortiz, Pedro M. Viruela, Gianni Zotti
Publikováno v:
Advanced Functional Materials. 16:531-536
A series of quinoidal oligothiophenes have been investigated by means of solid-state Fourier-transform (FT)-Raman and electron spin resonance (ESR) spectroscopies complemented with density functional theory calculations. FT-Raman spectra recorded as
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::646738c668971518f273c2c99ba74d0f
https://doi.org/10.1002/adfm.200500404
https://doi.org/10.1002/adfm.200500404
Publikováno v:
Chemistry - A European Journal. 11:6905-6915
The molecular mechanism of the Baeyer-Villiger oxidation of cyclohexanone with hydrogen peroxide catalyzed by the Sn-beta zeolite has been investigated by combining molecular mechanics, quantum-chemical calculations, spectroscopic, and kinetic techni
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::87e4d46c7ced88578c9c254e7612f8d0
https://doi.org/10.1002/chem.200500184
https://doi.org/10.1002/chem.200500184