Larsson JA - Search Results

1

Realization of either physisorption or chemisorption of 2H-tetraphenylporphyrin on the Cu(111) from density functional theory.

Naseri S, Abbas G, Johansson G, Koumpouras K, Baran JD, Larsson JA. Naseri S, et al. Among authors: larsson ja. J Phys Condens Matter. 2024 Mar 14;36(23). doi: 10.1088/1361-648X/ad2e27. J Phys Condens Matter. 2024. PMID: 38417164

2

Inversion of the shuttlecock shaped metal phthalocyanines MPc (M = Ge, Sn, Pb)--a density functional study.

Baran JD, Larsson JA. Baran JD, et al. Among authors: larsson ja. Phys Chem Chem Phys. 2010 Jun 21;12(23):6179-86. doi: 10.1039/b924421b. Epub 2010 Apr 14. Phys Chem Chem Phys. 2010. PMID: 20390206

3

Measuring the mechanical properties of molecular conformers.

Jarvis SP, Taylor S, Baran JD, Champness NR, Larsson JA, Moriarty P. Jarvis SP, et al. Among authors: larsson ja. Nat Commun. 2015 Sep 21;6:8338. doi: 10.1038/ncomms9338. Nat Commun. 2015. PMID: 26388232 Free PMC article.

4

Distinguishing between chemical bonding and physical binding using electron localization function (ELF).

Koumpouras K, Larsson JA. Koumpouras K, et al. Among authors: larsson ja. J Phys Condens Matter. 2020 May 6;32(31). doi: 10.1088/1361-648X/ab7fd8. J Phys Condens Matter. 2020. PMID: 32175916

5

Oxygen-vacancy-induced magnetism in anti-perovskite topological Dirac semimetal Ba₃SnO.

Batool J, Alay-E-Abbas SM, Johansson G, Zulfiqar W, Danish MA, Bilal M, Larsson JA, Amin N. Batool J, et al. Among authors: larsson ja. Phys Chem Chem Phys. 2021 Nov 10;23(43):24878-24891. doi: 10.1039/d1cp03989j. Phys Chem Chem Phys. 2021. PMID: 34724010

6

Physical binding energies using the electron localization function in 4-hydroxyphenylboronic acid co-crystals with aza donors.

Shimpi MT, Sajjad M, Öberg S, Larsson JA. Shimpi MT, et al. Among authors: larsson ja. J Phys Condens Matter. 2023 Sep 18;35(50). doi: 10.1088/1361-648X/acf638. J Phys Condens Matter. 2023. PMID: 37659400

7

Rashba Effect and Raman Spectra of Tl₂O/PtS₂ Heterostructure.

Sattar S, Larsson JA. Sattar S, et al. Among authors: larsson ja. ACS Omega. 2021 Jan 26;6(5):4044-4050. doi: 10.1021/acsomega.0c06043. eCollection 2021 Feb 9. ACS Omega. 2021. PMID: 33585779 Free PMC article.

8

Exploring the Superior Anchoring Performance of the Two-Dimensional Nanosheets B₂C₄P₂ and B₃C₂P₃ for Lithium-Sulfur Batteries.

Al-Jayyousi H, Eswaran MK, Ray A, Sajjad M, Larsson JA, Singh N. Al-Jayyousi H, et al. Among authors: larsson ja. ACS Omega. 2022 Oct 20;7(43):38543-38549. doi: 10.1021/acsomega.2c03898. eCollection 2022 Nov 1. ACS Omega. 2022. PMID: 36340124 Free PMC article.

9

Dynamics of growing carbon nanotube interfaces probed by machine learning-enabled molecular simulations.

Hedman D, McLean B, Bichara C, Maruyama S, Larsson JA, Ding F. Hedman D, et al. Among authors: larsson ja. Nat Commun. 2024 May 14;15(1):4076. doi: 10.1038/s41467-024-47999-7. Nat Commun. 2024. PMID: 38744824 Free PMC article.

10

Communication: Origin of the difference between carbon nanotube armchair and zigzag ends.

Li Y, Ahuja R, Larsson JA. Li Y, et al. Among authors: larsson ja. J Chem Phys. 2014 Mar 7;140(9):091102. doi: 10.1063/1.4867744. J Chem Phys. 2014. PMID: 24606345

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