Busra Dereli
Affiliations: | Pacific Northwest National Laboratory, Richland, WA, United States |
Area:
computational chemistryGoogle:
"Busra Dereli"Mean distance: (not calculated yet)
Parents
Sign in to add mentor| Christopher J. Cramer | grad student | 2013-2018 | UMN |
| Marcel Baer | post-doc | 2022- | PNNL |
| Simone Raugei | post-doc | 2022- | PNNL |
| Luigi Cavallo | post-doc | 2018-2022 | KAUST |
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Publications
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| Cozzi PG, Calogero F, Potenti S, et al. (2021) Nickel Mediated Enantioselective Photoredox Allylation of Aldehydes with Visible Light. Angewandte Chemie (International Ed. in English) |
| Darmandeh H, Löffler J, Tzouras NV, et al. (2021) Au···H-C Hydrogen Bonds as Design Principle in Gold(I) Catalysis. Angewandte Chemie (International Ed. in English) |
| Liu Y, Voloshkin VA, Scattolin T, et al. (2021) Conversion of Pd(I) off-cycle species into highly efficient cross-coupling catalysts. Dalton Transactions (Cambridge, England : 2003). 50: 5420-5427 |
| Scattolin T, Bortolamiol E, Palazzolo S, et al. (2020) The anticancer activity of an air-stable Pd(I)-NHC (NHC = N-heterocyclic carbene) dimer. Chemical Communications (Cambridge, England) |
| Thiam Z, Abou-Hamad E, Dereli B, et al. (2020) Extension of the Surface Organometallic Chemistry to Metal-Organic Framework: development of well-defined single site [(≡Zr-O-)W(=O)(CH2tBu)3] olefin metathesis catalyst. Journal of the American Chemical Society |
| Dereli B, Momeni MR, Cramer CJ. (2018) Density Functional Modeling of Ligand Effects on Electronic Structure and C-H Bond Activation Activity of Copper(III) Hydroxide Compounds. Inorganic Chemistry |
| Ortuño MA, Dereli B, Chiaie KRD, et al. (2018) The Role of Alkoxide Initiator, Spin State, and Oxidation State in Ring-Opening Polymerization of ε-Caprolactone Catalyzed by Iron Bis(imino)pyridine Complexes. Inorganic Chemistry |
| Cramer CJ, Dereli B, Ortuño M. (2017) Accurate Ionization Energies for Mononuclear Copper Complexes Remain A Challenge for Density Functional Theory. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry |
| Klein JE, Dereli B, Que L, et al. (2016) Why metal-oxos react with dihydroanthracene and cyclohexadiene at comparable rates, despite having different C-H bond strengths. A computational study. Chemical Communications (Cambridge, England) |
| Ortuño MA, Dereli B, Cramer CJ. (2016) Mechanism of Pd-Catalyzed Decarbonylation of Biomass-Derived Hydrocinnamic Acid to Styrene following Activation as an Anhydride. Inorganic Chemistry |