A computational study on a series of phenanthrene and phenanthroline based potential organic photovoltaics

Autor: Selçuk Gümüş, Ayşegül Gümüş

Publikováno v: Macedonian Journal of Chemistry and Chemical Engineering, Vol 36, Iss 2, Pp 239-249 (2017)

A series of phenanthrene and phenanthroline derivatives were considered computationally by the application of Density Functional Theory at the B3LYP/6-31++G(d,p) level to investigate their potential usage as organic solar cell components, thermally a

Externí odkaz: https://doaj.org/article/c835d9f88f3b4d4386e149a2d61ef7f7

Enantioselective Bio-Hydrolysis of Geranyl-Derived rac-Epoxides: A Chemoenzymatic Route to trans-Furanoid Linalool Oxide

Autor: Kurt Faber, Matthijs J. van Lint, Romano V. A. Orru, Ayşegül Gümüş, Mélanie Hall, Eelco Ruijter

Publikováno v: van Lint, M J, Gümüs, A, Ruijter, E, Faber, K, Orru, R V A & Hall, M 2019, ' Enantioselective Bio-Hydrolysis of Geranyl-Derived rac-Epoxides: A Chemoenzymatic Route to trans-Furanoid Linalool Oxide ', Advanced Synthesis and Catalysis, vol. 361, no. 4, pp. 813-825 . https://doi.org/10.1002/adsc.201801094
Advanced Synthesis and Catalysis, 361(4), 813-825. Wiley-VCH Verlag

© 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim In contrast to many chemical dihydroxylation methods, enzymatic epoxide hydrolysis provides an environmentally benign route to vicinal diols, which are important intermediates in the synthesis of fin

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b8f41fc69137f24f737b1bdbef4a6fce
http://www.scopus.com/inward/record.url?scp=85059268026&partnerID=8YFLogxK

Synthesis, biological evaluation of antioxidant-antibacterial activities and computational studies of novel anthracene- and pyrene-based Schiff base derivatives

Autor: Veysi Okumuş, Ayşegül Gümüş, Selçuk Gümüş

Publikováno v: Volume: 44, Issue: 4 1200-1215
Turkish Journal of Chemistry

Schiff base derivatives with anthracene- and pyrene-based units, Al-A6 and P1-P6 were synthesized (89%-99% yields). Schiff base derivatives were designed to possess an heterocyclic moiety on one side to enhance the coordination ability towards metals

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5adc7497a22dea4905d8a8c603e9b4c6
https://dergipark.org.tr/tr/pub/tbtkchem/issue/62604/945499

INVESTIGATION OF AROMATICITY OF TRI AND TETRAAZANAPHTHALENE DERIVATIVES

Autor: Mehmet Avcı, Ayşegül Gümüş, Selçuk Gümüş

Publikováno v: MATTER: International Journal of Science and Technology. 3:177-192

Aromaticity of a compound gives important information about the possible reactions and other propeties of a molecule. In that point of view measurement of aromaticity is very important. Although there are a few applications for the determination of a

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::551a92e023775f869802fd380ba93ff2
https://doi.org/10.20319/mijst.2017.32.177192

Investigation of the aromaticity of mono, di, tri and tetraazaphenanthrene derivatives

Autor: Selçuk Gümüş, Necdet Karakoyun, Ayşegül Gümüş, Zeynep Turhan Irak, Erhan Öztürk

Publikováno v: Physical Sciences Reviews. 5

© 2020 Walter de Gruyter GmbH, Berlin/Boston 2020.In this chapter mono, di, tri and tetraaza substituted phenanthrene derivatives have been investigated computationally with B3LYP/6-31 + G(d,p) level of theory. Substitution of carbon atom of the mai

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8ab5743229944ba004352f01112db268
https://doi.org/10.1515/psr-2018-0176