Rahm M - Search Results

1

A hypervalent and cubically coordinated molecular phase of IF₈ predicted at high pressure.

Luo D, Lv J, Peng F, Wang Y, Yang G, Rahm M, Ma Y. Luo D, et al. Among authors: rahm m. Chem Sci. 2019 Jan 3;10(8):2543-2550. doi: 10.1039/c8sc04635b. eCollection 2019 Feb 28. Chem Sci. 2019. PMID: 30881685 Free PMC article.

2

A Density Functional Theory for the Average Electron Energy.

Racioppi S, Lolur P, Hyldgaard P, Rahm M. Racioppi S, et al. Among authors: rahm m. J Chem Theory Comput. 2023 Feb 14;19(3):799-807. doi: 10.1021/acs.jctc.2c00899. Epub 2023 Jan 24. J Chem Theory Comput. 2023. PMID: 36693279 Free PMC article.

3

Exploring the Limits of Transition-Metal Fluorination at High Pressures.

Lin J, Du X, Rahm M, Yu H, Xu H, Yang G. Lin J, et al. Among authors: rahm m. Angew Chem Int Ed Engl. 2020 Jun 2;59(23):9155-9162. doi: 10.1002/anie.202002339. Epub 2020 Mar 25. Angew Chem Int Ed Engl. 2020. PMID: 32150319

4

Relating atomic energy, radius and electronegativity through compression.

Rahm M, Erhart P, Cammi R. Rahm M, et al. Chem Sci. 2021 Jan 28;12(7):2397-2403. doi: 10.1039/d0sc06675c. Chem Sci. 2021. PMID: 34164004 Free PMC article.

5

Squeezing All Elements in the Periodic Table: Electron Configuration and Electronegativity of the Atoms under Compression.

Rahm M, Cammi R, Ashcroft NW, Hoffmann R. Rahm M, et al. J Am Chem Soc. 2019 Jul 3;141(26):10253-10271. doi: 10.1021/jacs.9b02634. Epub 2019 Jun 18. J Am Chem Soc. 2019. PMID: 31144505

6

The electron density: a fidelity witness for quantum computation.

Skogh M, Dobrautz W, Lolur P, Warren C, Biznárová J, Osman A, Tancredi G, Bylander J, Rahm M. Skogh M, et al. Among authors: rahm m. Chem Sci. 2023 Dec 20;15(6):2257-2265. doi: 10.1039/d3sc05269a. eCollection 2024 Feb 7. Chem Sci. 2023. PMID: 38332826 Free PMC article.

7

Electronegativity Seen as the Ground-State Average Valence Electron Binding Energy.

Rahm M, Zeng T, Hoffmann R. Rahm M, et al. J Am Chem Soc. 2019 Jan 9;141(1):342-351. doi: 10.1021/jacs.8b10246. Epub 2018 Dec 17. J Am Chem Soc. 2019. PMID: 30499303

8

Varying Electronic Configurations in Compressed Atoms: From the Role of the Spatial Extension of Atomic Orbitals to the Change of Electronic Configuration as an Isobaric Transformation.

Cammi R, Rahm M, Hoffmann R, Ashcroft NW. Cammi R, et al. Among authors: rahm m. J Chem Theory Comput. 2020 Aug 11;16(8):5047-5056. doi: 10.1021/acs.jctc.0c00443. Epub 2020 Jul 7. J Chem Theory Comput. 2020. PMID: 32551592 Free PMC article.

9

Non-Bonded Radii of the Atoms Under Compression.

Rahm M, Ångqvist M, Rahm JM, Erhart P, Cammi R. Rahm M, et al. Among authors: rahm jm. Chemphyschem. 2020 Nov 3;21(21):2441-2453. doi: 10.1002/cphc.202000624. Epub 2020 Oct 15. Chemphyschem. 2020. PMID: 32896974

10

Experimental Quantum Chemistry: A Hammett-inspired Fingerprinting of Substituent Effects.

Sessa F, Olsson M, Söderberg F, Wang F, Rahm M. Sessa F, et al. Among authors: rahm m. Chemphyschem. 2021 Mar 17;22(6):569-576. doi: 10.1002/cphc.202001053. Epub 2021 Feb 22. Chemphyschem. 2021. PMID: 33502056 Free PMC article.

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