↓ Direkt till sidans innehåll
↓ Direkt till sidans sekundära innehåll (sidomenyn)

Träfflista för sökning "WFRF:(Casado Juan) srt2:(2011-2014)"

Search: WFRF:(Casado Juan) > (2011-2014)

Result 1-3 of 3

Sort/group result

Sort by: Hits per page:

Enumeration	Reference	Cover	Find
1.	Nieto-Ortega, Belen, et al. (author) Electronic and vibrational circular dichroism spectroscopies for the understanding of chiral organization in porphyrin aggregates 2012 In: Chemical Communications. - : Royal Society of Chemistry. - 1359-7345 .- 1364-548X. ; 48:73, s. 9147-9149 Journal article (peer-reviewed)abstract Dichroic optical spectroscopies and theoretical modelling have been used to describe the structure of aggregates of porphyrins in their gels in terms of: (i) the formation of helicoidal structures, (ii) the sign of the handedness, (iii) their extent and degree of structural order, and (iv) the annealing of the structural defects.
2.	Sjöqvist, Jonas, 1985-, et al. (author) A combined MD/QM and experimental exploration of conformational richness in branched oligothiophenes 2014 In: Physical Chemistry, Chemical Physics - PCCP. - : Royal Society of Chemistry. - 1463-9076 .- 1463-9084. ; 16:45, s. 24841-24852 Journal article (peer-reviewed)abstract Infrared (IR) absorption and vibrational Raman spectra of a family of branched oligothiophenes have been determined experimentally as well as theoretically. The molecular spectra have been compared to those of the linear analogues, with identification made of spectral features due to structural properties that are valued in organic solar cell applications. The theoretical spectra have been obtained through a newly developed method in which individual conformer spectra, calculated at the time-dependent DFT level in this work, are weighted by statistics extracted from classical molecular dynamics trajectories. The agreement with experiment for the resulting averaged spectra is at least as good as, and often better than, what is observed for Boltzmann-weighted spectra. As the weights are available before the costly step of spectrum calculation, the method has the additional advantage of enabling efficient approximations. For simulating the molecular dynamics of the studied α,β-linked thiophenes and 2-methylthiophenes, high quality parameters have been derived for the CHARMM force field. Furthermore, the temperature dependence of the IR and Raman spectra have been investigated, both experimentally and theoretically.
3.	Roelands, Marc, et al. (author) The diy smart experiences project 2011 In: Architecting the Internet of Things. - Berlin, Heidelberg : Springer Berlin/Heidelberg. - 9783642191572 ; , s. 279-315 Book chapter (other academic/artistic)

Skapa referenser, mejla, bekava och länka

Permalink

Result 1-3 of 3

Refine your search

Type of publication: journal article (2); book chapter (1)

Type of content: peer-reviewed (2); other academic/artistic (1)

Author/Editor: Linares, Mathieu (2); Casado, Juan (2); Tang, Yan (1); Norman, Patrick (1); Crespi, Noel (1); Beljonne, David (1); show more...; Martínez-Ortega, Jos ... (1); Roelands, Marc (1); Corredor, Iván (1); Familiar, Miguel S (1); Hernández, Vicente (1); Amabilino, David B. (1); Plomp, Johan (1); Meersman, Robert (1); Nieto-Ortega, Belen (1); Ramirez, Francisco J (1); Lopez Navarrete, Jua ... (1); Mansilla, Diego Casa ... (1); Velasco, Juan R (1); Salhi, Ismail (1); Lee, Gyu Myoung (1); dos Santos, Filipe V ... (1); Vachaudez, Julien (1); Bettens, Frédéric (1); Hanqc, Joel (1); Valderrama, Carlos (1); Menezes, Nilo (1); Girardi, Alexandre (1); Ricco, Xavier (1); Lopez-Ramos, Mario (1); Dumont, Nicolas (1); De Roeck, Dries (1); van Nimwigen, Christ ... (1); Bastida, Leire (1); Escalante, Marisa (1); Alonso, Juncal (1); Reul, Quentin (1); Sjöqvist, Jonas, 198 ... (1); González-Cano, Rafae ... (1); López Navarette, Jua ... (1); Ruiz Delgado, M. Car ... (1); show less...

University: Linköping University (2); Royal Institute of Technology (1); Mälardalen University (1)

Language: English (3)

Research subject (UKÄ/SCB): Natural sciences (1)

Year

Kungliga biblioteket hanterar dina personuppgifter i enlighet med EU:s dataskyddsförordning (2018), GDPR. Läs mer om hur det funkar här.
Så här hanterar KB dina uppgifter vid användning av denna tjänst.

Copyright © LIBRIS - National Library Systems
LIBRIS.kb.se

pil uppåt

Close

Copy and save the link in order to return to this view