Donà L - Search Results

1

Metal-organic frameworks properties from hybrid density functional approximations.

Donà L, Brandenburg JG, Civalleri B. Donà L, et al. J Chem Phys. 2022 Mar 7;156(9):094706. doi: 10.1063/5.0080359. J Chem Phys. 2022. PMID: 35259908

2

Extending and assessing composite electronic structure methods to the solid state.

Doná L, Brandenburg JG, Civalleri B. Doná L, et al. J Chem Phys. 2019 Sep 28;151(12):121101. doi: 10.1063/1.5123627. J Chem Phys. 2019. PMID: 31575185 Free article.

3

Elucidating the Drug Release from Metal-Organic Framework Nanocomposites via In Situ Synchrotron Microspectroscopy and Theoretical Modeling.

Souza BE, Donà L, Titov K, Bruzzese P, Zeng Z, Zhang Y, Babal AS, Möslein AF, Frogley MD, Wolna M, Cinque G, Civalleri B, Tan JC. Souza BE, et al. Among authors: dona l. ACS Appl Mater Interfaces. 2020 Jan 29;12(4):5147-5156. doi: 10.1021/acsami.9b21321. Epub 2020 Jan 16. ACS Appl Mater Interfaces. 2020. PMID: 31904920

4

Understanding and Controlling the Dielectric Response of Metal-Organic Frameworks.

Ryder MR, Donà L, Vitillo JG, Civalleri B. Ryder MR, et al. Among authors: dona l. Chempluschem. 2018 Apr;83(4):308-316. doi: 10.1002/cplu.201700558. Epub 2018 Mar 22. Chempluschem. 2018. PMID: 31957274

5

Cost-effective composite methods for large-scale solid-state calculations.

Donà L, Brandenburg JG, Bush IJ, Civalleri B. Donà L, et al. Faraday Discuss. 2020 Dec 4;224(0):292-308. doi: 10.1039/d0fd00066c. Faraday Discuss. 2020. PMID: 32955053

6

Defect Engineering in Metal-Organic Framework Nanocrystals: Implications for Mechanical Properties and Performance.

Möslein AF, Donà L, Civalleri B, Tan JC. Möslein AF, et al. Among authors: dona l. ACS Appl Nano Mater. 2022 May 27;5(5):6398-6409. doi: 10.1021/acsanm.2c00493. Epub 2022 Mar 8. ACS Appl Nano Mater. 2022. PMID: 35655928 Free PMC article.

7

Structure-Property Relationship of Piezoelectric Properties in Zeolitic Imidazolate Frameworks: A Computational Study.

Mula S, Donà L, Civalleri B, van der Veen MA. Mula S, et al. Among authors: dona l. ACS Appl Mater Interfaces. 2022 Nov 16;14(45):50803-50814. doi: 10.1021/acsami.2c13506. Epub 2022 Nov 2. ACS Appl Mater Interfaces. 2022. PMID: 36321950 Free PMC article.

8

CRYSTAL23: A Program for Computational Solid State Physics and Chemistry.

Erba A, Desmarais JK, Casassa S, Civalleri B, Donà L, Bush IJ, Searle B, Maschio L, Edith-Daga L, Cossard A, Ribaldone C, Ascrizzi E, Marana NL, Flament JP, Kirtman B. Erba A, et al. Among authors: dona l. J Chem Theory Comput. 2023 Oct 24;19(20):6891-6932. doi: 10.1021/acs.jctc.2c00958. Epub 2022 Dec 11. J Chem Theory Comput. 2023. PMID: 36502394 Free PMC article. Review.

9

Synthesis, Crystal Structure, and Photocatalytic Properties of Two Isoreticular Ce(IV)-MOFs with an Infinite Rod-Shaped Inorganic Building Unit.

Gosch J, Morelli Venturi D, Svensson Grape E, Atzori C, Donà L, Steinke F, Otto T, Tjardts T, Civalleri B, Lomachenko KA, Inge AK, Costantino F, Stock N. Gosch J, et al. Among authors: dona l. Inorg Chem. 2023 Apr 3;62(13):5176-5185. doi: 10.1021/acs.inorgchem.3c00049. Epub 2023 Mar 24. Inorg Chem. 2023. PMID: 36960951

10

Unlocking Diabetic Acetone Vapor Detection by A Portable Metal-Organic Framework-Based Turn-On Optical Sensor Device.

Mollick S, Rai S, Frentzel-Beyme L, Kachwal V, Donà L, Schürmann D, Civalleri B, Henke S, Tan JC. Mollick S, et al. Among authors: dona l. Adv Sci (Weinh). 2024 Jan;11(4):e2305070. doi: 10.1002/advs.202305070. Epub 2023 Nov 30. Adv Sci (Weinh). 2024. PMID: 38032122 Free PMC article.

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