Zobrazeno 1 - 9
of 9
pro vyhledávání: '"Davide Luise"'
Publikováno v:
The Journal of Physical Chemistry C. 127:5968-5981
Publikováno v:
Journal of Computational Chemistry. 43:2001-2008
The absorption spectra of polymers derived from ortho, meta and para phenylenediamines (o-PDA, m-PDA and p-PDA) have been simulated combining periodic density functional theory (DFT) calculations with time-dependent DFT simulations. These latter have
Autor:
Maxime Hourtoule, Yongxiang Zheng, Anna Perfetto, Davide Luise, Ilaria Ciofini, Laurence Miesch
Publikováno v:
The Journal of Organic Chemistry. 87:5404-5411
Autor:
Finizia Auriemma, Odda Ruiz de Ballesteros, Giovanni Talarico, Vincenzo Busico, Claudio De Rosa, Davide Luise, Gaia Urciuoli, Antonio Vittoria, Roberta Cipullo
Publikováno v:
Macromolecules. 54:10891-10902
The nonuniform molecular architecture of ethylene/1-octene multiblock copolymers (O-MBCs) synthesized by the chain shuttling technology is investigated. The samples consist of chains characterized by alternating hard (crystalline) and soft (amorphous
Publikováno v:
Organic Letters
Organic Letters, American Chemical Society, 2021, 23 (14), pp.5528-5532. ⟨10.1021/acs.orglett.1c01876⟩
Organic Letters, American Chemical Society, 2021, 23 (14), pp.5528-5532. ⟨10.1021/acs.orglett.1c01876⟩
International audience; The significance of molecules containing difluoromethyl groups is driven by their potential applications in pharmaceutical and agrochemical science. Methods for the incorporation of lightly fluorinated groups such as CF2H have
Autor:
Maxime, Hourtoule, Yongxiang, Zheng, Anna, Perfetto, Davide, Luise, Ilaria, Ciofini, Laurence, Miesch
Publikováno v:
The Journal of organic chemistry. 87(8)
Autor:
Yongxiang Zheng, Anna Perfetto, Laurence Miesch, Santanu Ghosh, Baptiste Moegle, Davide Luise, Ilaria Ciofini
Publikováno v:
Chemistry – A European Journal. 28
A copper-mediated coupling reaction between ynamides and diazo-compounds to produce N -allenamides is reported for the first time. This method enables facile and rapid access to terminal N -allenamides by using commercially available TMS-diazomethane
Publikováno v:
Organic letters. 23(14)
The significance of molecules containing difluoromethyl groups is driven by their potential applications in pharmaceutical and agrochemical science. Methods for the incorporation of lightly fluorinated groups such as CF
Modeling UV-Vis spectra of low dimensional materials using electrostatic embedding: the case of CdSe
Publikováno v:
Journal of Computational Chemistry
Journal of Computational Chemistry, Wiley, 2021, 42 (17), pp.1212-1224. ⟨10.1002/jcc.26534⟩
Journal of Computational Chemistry, Wiley, 2021, 42 (17), pp.1212-1224. ⟨10.1002/jcc.26534⟩
We present a generalization of a self-consistent electrostatic embedding approach (SC-Ewald) devised to investigate the photophysical properties of 3D periodic materials, to systems in one- or two-dimensional (2D) reduced periodicity. In this approac
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::749335f68be30d41c87098c8473a42f1
https://hal.archives-ouvertes.fr/hal-03297217/file/Ewald-CdSe-R1_f_hal.pdf
https://hal.archives-ouvertes.fr/hal-03297217/file/Ewald-CdSe-R1_f_hal.pdf