Browsing by Subject "DFT calculations"

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Synthesis, crystal structures and luminescent properties of the copper(I) pyrazolonate complexes

Bochkarev L.; Bariniva Y.; Ilicheva A.; Ketkov S.; Baranov E.; Ilichev V.; Yakhvarov D. (2015)

© 2014 Elsevier B.V. All rights reserved. New copper(I) complexes with pyrazolonate ligands [Cu(Pri-PMP)(DPEphos)] (1) and [Cu(But-PMP)(DPEphos)] (2) (Pri-PMP = 1-phenyl-3-methyl-4-isobutyryl-5-pyrazolonato, But-PMP = ...
The charge state of pt in binary compounds and synthetic minerals determined by x-ray absorption spectroscopy and quantum chemical calculations

Evstigneeva P.V.; Trigub A.L.; Chareev D.A.; Nickolsky M.S.; Tagirov B.R. (2021)

The binary synthetic compounds of Pt with chalcogens (O, S, Se, Te), pnictogens (As, Sb, Bi), and intermetallic compounds with Ga, In, and Sn of various stoichiometry were studied via X-ray absorption spectroscopy (XAS). ...
Thermal stability of primary and secondary phosphine oxides formed as a reaction of phosphine oxide with ketones

Gorbachuk E.; Badeeva E.; Katsyuba S.; Pavlov P.; Khayarov K.; Sinyashin O.; Yakhvarov D. (2016)

© 2016 Taylor & Francis Group, LLC.We present the study of reactivity of electrochemically generated in situ from white phosphorus P4 phosphine oxide H3PO toward various ketones (acetone, methylethylketone, methyl-n-propylketone). ...

Now showing items 21-23 of 23

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