Busra Dereli - Publications

Affiliations: 
Pacific Northwest National Laboratory, Richland, WA, United States 
Area:
computational chemistry

11 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2021 Cozzi PG, Calogero F, Potenti S, Bassan E, Fermi A, Gualandi A, Monaldi J, Dereli B, Maity B, Cavallo L, Ceroni P. Nickel Mediated Enantioselective Photoredox Allylation of Aldehydes with Visible Light. Angewandte Chemie (International Ed. in English). PMID 34937125 DOI: 10.1002/anie.202114981  0.458
2021 Darmandeh H, Löffler J, Tzouras NV, Dereli B, Scherpf T, Feichtner KS, Vanden Broeck S, Van Hecke K, Saab M, Cazin CSJ, Cavallo L, Nolan SP, Däschlein-Gessner VH. Au···H-C Hydrogen Bonds as Design Principle in Gold(I) Catalysis. Angewandte Chemie (International Ed. in English). PMID 34313367 DOI: 10.1002/anie.202108581  0.474
2021 Liu Y, Voloshkin VA, Scattolin T, Cavallo L, Dereli B, Cazin CSJ, Nolan SP. Conversion of Pd(I) off-cycle species into highly efficient cross-coupling catalysts. Dalton Transactions (Cambridge, England : 2003). 50: 5420-5427. PMID 33908994 DOI: 10.1039/d1dt00929j  0.486
2020 Scattolin T, Bortolamiol E, Palazzolo S, Caligiuri I, Perin T, Canzonieri V, Demitri N, Rizzolio F, Cavallo L, Dereli B, Mane MV, Nolan SP, Visentin F. The anticancer activity of an air-stable Pd(I)-NHC (NHC = N-heterocyclic carbene) dimer. Chemical Communications (Cambridge, England). PMID 32926011 DOI: 10.1039/D0Cc03883K  0.451
2020 Thiam Z, Abou-Hamad E, Dereli B, Liu L, Emwas AH, Ahmad R, Jiang H, Isah AA, Ndiaye PB, Taoufik M, Han Y, Cavallo L, Basset JM, Eddaoudi M. 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. PMID 32902976 DOI: 10.1021/Jacs.0C06925  0.441
2018 Dereli B, Momeni MR, Cramer CJ. Density Functional Modeling of Ligand Effects on Electronic Structure and C-H Bond Activation Activity of Copper(III) Hydroxide Compounds. Inorganic Chemistry. PMID 30070468 DOI: 10.1021/Acs.Inorgchem.8B01530  0.495
2018 Ortuño MA, Dereli B, Chiaie KRD, Biernesser AB, Qi M, Byers JA, Cramer CJ. 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. PMID 29381341 DOI: 10.1021/Acs.Inorgchem.7B02964  0.437
2017 Cramer CJ, Dereli B, Ortuño M. Accurate Ionization Energies for Mononuclear Copper Complexes Remain A Challenge for Density Functional Theory. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 29247484 DOI: 10.1002/Cphc.201701334  0.407
2016 Klein JE, Dereli B, Que L, Cramer CJ. 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). PMID 27489080 DOI: 10.1039/C6Cc05395E  0.418
2016 Ortuño MA, Dereli B, Cramer CJ. Mechanism of Pd-Catalyzed Decarbonylation of Biomass-Derived Hydrocinnamic Acid to Styrene following Activation as an Anhydride. Inorganic Chemistry. PMID 27077600 DOI: 10.1021/Acs.Inorgchem.5B02664  0.477
2015 Dhar D, Yee GM, Spaeth AD, Boyce DW, Zhang H, Dereli B, Cramer CJ, Tolman WB. Perturbing the Copper(III)-Hydroxide Unit through Ligand Structural Variation. Journal of the American Chemical Society. PMID 26693733 DOI: 10.1021/Jacs.5B10985  0.469
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