Zobrazeno 1 - 6
of 6
pro vyhledávání: '"Amara Chrayteh"'
Autor:
Michał Pieczykolan, James B. Derr, Amara Chrayteh, Beata Koszarna, John A. Clark, Olena Vakuliuk, Denis Jacquemin, Valentine I. Vullev, Daniel T. Gryko
Publikováno v:
Molecules, Vol 26, Iss 16, p 4744 (2021)
Three centrosymmetric diketopyrrolopyrroles possessing either two 2-(2′-methoxyphenyl)benzothiazole or two 2-(2′-methoxyphenyl)benzoxazolo-thiophene scaffolds were synthesized in a straightforward manner, and their photophysical properties were i
Externí odkaz:
https://doaj.org/article/53001f3517c544239f096ad0de53380a
Publikováno v:
Journal of Chemical Theory and Computation. 17:5155-5164
We present an effective computational protocol (cLR2) to describe both solvatochromism and fluorosolvatochromism. This protocol, which couples the polarizable continuum model to time-dependent density functional theory, simultaneously accounts for bo
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1cb4bc491f28b9cc0586b30228f06fae
https://doi.org/10.1021/acs.jctc.1c00490
https://doi.org/10.1021/acs.jctc.1c00490
Autor:
Beata Koszarna, Michał Pieczykolan, Daniel T. Gryko, Denis Jacquemin, Olena Vakuliuk, John A. Clark, James B. Derr, Amara Chrayteh, Valentine I. Vullev
Publikováno v:
Molecules
Molecules, Vol 26, Iss 4744, p 4744 (2021)
Volume 26
Issue 16
Molecules, Vol 26, Iss 4744, p 4744 (2021)
Volume 26
Issue 16
Three centrosymmetric diketopyrrolopyrroles possessing either two 2-(2′-methoxyphenyl)benzothiazole or two 2-(2′-methoxyphenyl)benzoxazolo-thiophene scaffolds were synthesized in a straightforward manner, and their photophysical properties were i
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::196c866cfea917e80be5f209d146a72b
https://pubmed.ncbi.nlm.nih.gov/34443329
https://pubmed.ncbi.nlm.nih.gov/34443329
Publikováno v:
Journal of Chemical Theory and Computation
Journal of Chemical Theory and Computation, American Chemical Society, 2021, 17 (1), pp.416-438. ⟨10.1021/acs.jctc.0c01111⟩
Journal of Chemical Theory and Computation, 2021, 17 (1), pp.416-438. ⟨10.1021/acs.jctc.0c01111⟩
Journal of Chemical Theory and Computation, American Chemical Society, 2021, 17 (1), pp.416-438. ⟨10.1021/acs.jctc.0c01111⟩
Journal of Chemical Theory and Computation, 2021, 17 (1), pp.416-438. ⟨10.1021/acs.jctc.0c01111⟩
This work presents a series of highly-accurate excited-state properties obtained using high-order coupled-cluster (CC) calculations performed with a series of diffuse containing basis sets, as well as extensive comparisons with experimental values. I
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4ad7b2ecebac29c481807fb85c7e1ab5
https://hal.archives-ouvertes.fr/hal-03018539
https://hal.archives-ouvertes.fr/hal-03018539
Publikováno v:
Physical Chemistry Chemical Physics
Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2020, 22 (43), pp.25066-25074. ⟨10.1039/d0cp04520a⟩
Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2020, 22 (43), pp.25066-25074. ⟨10.1039/d0cp04520a⟩
Two efficient excited state intramolecular proton transfer (ESIPT) dyes based on the hydroxyphenyl-oxazole core and containing one or two triphenylamine donor groups are explored with theoretical tools. These compounds are known to show clear experim
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::95d756d4ea817d5cc9a831622896ddce
https://hal.archives-ouvertes.fr/hal-03024863
https://hal.archives-ouvertes.fr/hal-03024863
Publikováno v:
Physical Chemistry Chemical Physics
Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2020, 22 (2), pp.854-863. ⟨10.1039/C9CP06261K⟩
Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2020, 22 (2), pp.854-863. ⟨10.1039/C9CP06261K⟩
International audience; Alkylamine-strapped chromophores based on a dithienylpyrrole core, and in which the Excited State Intramolecular Proton Transfer (ESIPT) process yields a zwitterionic structure rather than a keto tautomer have been reported re
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e076a74f3ffa9c94784a7bb1adfd2304
https://hal.archives-ouvertes.fr/hal-02553682/file/chrayteh2019.pdf
https://hal.archives-ouvertes.fr/hal-02553682/file/chrayteh2019.pdf