Výsledky vyhledávání - "T. R. Furlani"

Akademický článek

Modeling the effect of substituents on the electronically excited states of indole derivatives.

Autor: Howe J; Department of Chemistry, Temple University, Philadelphia, Pennsylvania, USA., Abou-Hatab S; Department of Chemistry, Temple University, Philadelphia, Pennsylvania, USA., Matsika S; Department of Chemistry, Temple University, Philadelphia, Pennsylvania, USA.

Publikováno v: Journal of computational chemistry [J Comput Chem] 2025 Jan 05; Vol. 46 (1), pp. e27502. Date of Electronic Publication: 2024 Sep 20.

Zobrazit plný text záznamu

Conformationally dependent heavy atom effect of chlorine on alkene triplet lifetimes. Experimental and ab initio calculations

Autor: T. R. Furlani, E. Ann Nalley, J. Laboy, Lance D. Jacobs, Richard A. Caldwell

Publikováno v: Journal of the American Chemical Society. 114:1623-1625

The heavy atom effect of vinyl Cl in enhancing ISC rates of arylalkene triplets is shown to be much greater for substrates which can access nonplanar conformations. The experimental results are consistent with ab initio calculations of spin-orbit cou

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::6f8d86adc8065f42ce92c2df9468d086
https://doi.org/10.1021/ja00031a013

Zobrazit plný text záznamu

Akademický článek

Cinchona‐Based Hydrogen‐Bond Donor Organocatalyst Metal Complexes: Asymmetric Catalysis and Structure Determination.

Autor: Nagy, Sándor^1,2 (AUTHOR), Richter, Dóra¹ (AUTHOR), Dargó, Gyula¹ (AUTHOR), Orbán, Balázs^3,4 (AUTHOR), Gémes, Gergő¹ (AUTHOR), Höltzl, Tibor^3,4 (AUTHOR), Garádi, Zsófia⁵ (AUTHOR), Fehér, Zsuzsanna¹ (AUTHOR), Kupai, József¹ (AUTHOR) kupai.jozsef@vbk.bme.hu

Publikováno v: ChemistryOpen. Apr2024, Vol. 13 Issue 4, p1-10. 10p.

Zobrazit plný text záznamu

Plný text ve formátu HTML

Akademický článek

DFT Calculations, Molecular Docking, and Pharmacological Properties Investigation for 5- Benzoxazolecarboxylic Acid as a Target Anti-Cancer Agent.

Autor: Küçük, Ceyhun¹ ceyhun.kucuk@beun.edu.tr

Publikováno v: Sakarya University Journal of Science (SAUJS) / Sakarya Üniversitesi Fen Bilimleri Enstitüsü Dergisi. Apr2024, Vol. 28 Issue 2, p314-325. 12p.

Zobrazit plný text záznamu

Akademický článek

Prediction of fluorescence quantum yields using the extended thawed Gaussian approximation.

Autor: Wenzel, Michael, Mitric, Roland

Publikováno v: Journal of Chemical Physics; 12/21/2023, Vol. 159 Issue 23, p1-17, 17p

Zobrazit plný text záznamu

Akademický článek

Shape resonance induced electron attachment to cytosine: The effect of aqueous media.

Autor: Verma, Pooja, Mukherjee, Madhubani, Bhattacharya, Debarati, Haritan, Idan, Dutta, Achintya Kumar

Publikováno v: Journal of Chemical Physics; 12/7/2023, Vol. 159 Issue 21, p1-14, 14p

Zobrazit plný text záznamu

Akademický článek

Synthesis and Bioluminescence of 'V'‐Shaped Firefly Luciferin Analogues Based on A Novel Benzobisthiazole Core.

Autor: Chang, Chia‐Hao¹ (AUTHOR), Fontaine, Danielle M.² (AUTHOR), Gómez, Sandra³ (AUTHOR), Branchini, Bruce R.² (AUTHOR), Anderson, James C.¹ (AUTHOR) j.c.anderson@ucl.ac.uk

Publikováno v: Chemistry - A European Journal. 12/11/2023, Vol. 29 Issue 69, p1-9. 9p.

Zobrazit plný text záznamu

Plný text ve formátu HTML

Akademický článek

Effect of choosing coordinate systems on computationally predicting nonradiative transition rates of flexible thermally activated delayed fluorescence molecules.

Autor: Min, Byeong Ki¹ (AUTHOR), Kim, Donggeon² (AUTHOR), Kim, Dongwook² (AUTHOR) dongwook-kim@kyonggi.ac.kr, Rhee, Young Min¹ (AUTHOR) ymrhee@kaist.ac.kr

Publikováno v: Bulletin of the Korean Chemical Society. Dec2023, Vol. 44 Issue 12, p989-1003. 15p.

Zobrazit plný text záznamu

Plný text ve formátu HTML