Usvyat D - Search Results

1

Growth and Atomic-Scale Characterization of Ultrathin Silica and Germania Films: The Crucial Role of the Metal Support.

Lewandowski AL, Tosoni S, Gura L, Yang Z, Fuhrich A, Prieto MJ, Schmidt T, Usvyat D, Schneider WD, Heyde M, Pacchioni G, Freund HJ. Lewandowski AL, et al. Among authors: usvyat d. Chemistry. 2021 Jan 26;27(6):1870-1885. doi: 10.1002/chem.202001806. Epub 2020 Dec 9. Chemistry. 2021. PMID: 33118653 Free PMC article. Review.

2

A Two-Dimensional 'Zigzag' Silica Polymorph on a Metal Support.

Kuhness D, Yang HJ, Klemm HW, Prieto M, Peschel G, Fuhrich A, Menzel D, Schmidt T, Yu X, Shaikhutdinov S, Lewandowski A, Heyde M, Kelemen A, Włodarczyk R, Usvyat D, Schütz M, Sauer J, Freund HJ. Kuhness D, et al. Among authors: usvyat d. J Am Chem Soc. 2018 May 16;140(19):6164-6168. doi: 10.1021/jacs.8b02905. Epub 2018 May 2. J Am Chem Soc. 2018. PMID: 29688718 Free PMC article.

3

Evolutionary Algorithm-Based Crystal Structure Prediction for Copper(I) Fluoride.

Kuklin MS, Maschio L, Usvyat D, Kraus F, Karttunen AJ. Kuklin MS, et al. Among authors: usvyat d. Chemistry. 2019 Sep 2;25(49):11528-11537. doi: 10.1002/chem.201902314. Epub 2019 Aug 5. Chemistry. 2019. PMID: 31290174

4

Binding of a TlCl Entity by a Tetragold Tetramercaptothiacalixarene Metalloligand via Metallophilic Interactions.

Frank N, Pryjomska-Ray I, Grubert L, Hecht S, Usvyat D, Limberg C. Frank N, et al. Among authors: usvyat d. Chemistry. 2021 Jun 4;27(32):8344-8349. doi: 10.1002/chem.202100298. Epub 2021 May 7. Chemistry. 2021. PMID: 33780048 Free PMC article.

5

Insights into Reaction Kinetics in Confined Space: Real Time Observation of Water Formation under a Silica Cover.

Prieto MJ, Mullan T, Schlutow M, Gottlob DM, Tănase LC, Menzel D, Sauer J, Usvyat D, Schmidt T, Freund HJ. Prieto MJ, et al. Among authors: usvyat d. J Am Chem Soc. 2021 Jun 16;143(23):8780-8790. doi: 10.1021/jacs.1c03197. Epub 2021 Jun 7. J Am Chem Soc. 2021. PMID: 34096299 Free PMC article.

6

Plasma Functionalization of Silica Bilayer Polymorphs.

Prieto MJ, Mullan T, Wan W, Tănase LC, de Souza Caldas L, Shaikhutdinov S, Sauer J, Usvyat D, Schmidt T, Cuenya BR. Prieto MJ, et al. Among authors: usvyat d. ACS Appl Mater Interfaces. 2022 Nov 2;14(43):48609-48618. doi: 10.1021/acsami.2c11491. Epub 2022 Oct 18. ACS Appl Mater Interfaces. 2022. PMID: 36255411 Free PMC article.

7

Heterogeneous Clusters of Phthalocyanine and Water Prepared and Probed in Superfluid Helium Nanodroplets.

Fischer J, Schlaghaufer F, Lottner EM, Slenczka A, Christiansen L, Stapelfeldt H, Karra M, Friedrich B, Mullan T, Schütz M, Usvyat D. Fischer J, et al. Among authors: usvyat d. J Phys Chem A. 2019 Nov 21;123(46):10057-10064. doi: 10.1021/acs.jpca.9b07302. Epub 2019 Nov 13. J Phys Chem A. 2019. PMID: 31670512 Free article.

8

Hybrid RPA:DFT Approach for Adsorption on Transition Metal Surfaces: Methane and Ethane on Platinum (111).

Sheldon C, Paier J, Usvyat D, Sauer J. Sheldon C, et al. Among authors: usvyat d. J Chem Theory Comput. 2024 Mar 12;20(5):2219-2227. doi: 10.1021/acs.jctc.3c01308. Epub 2024 Feb 8. J Chem Theory Comput. 2024. PMID: 38330551 Free PMC article.

9

The color center singlet state of oxygen vacancies in TiO₂.

Chen J, Bogdanov NA, Usvyat D, Fang W, Michaelides A, Alavi A. Chen J, et al. Among authors: usvyat d. J Chem Phys. 2020 Nov 28;153(20):204704. doi: 10.1063/5.0030658. J Chem Phys. 2020. PMID: 33261489

10

Reaction barriers on non-conducting surfaces beyond periodic local MP2: Diffusion of hydrogen on α-Al₂O₃(0001) as a test case.

Mullan T, Maschio L, Saalfrank P, Usvyat D. Mullan T, et al. Among authors: usvyat d. J Chem Phys. 2022 Feb 21;156(7):074109. doi: 10.1063/5.0082805. J Chem Phys. 2022. PMID: 35183075

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