Leonardo Bernasconi - Search Results

Year	Number of Results
2003	1
2004	2
2005	1
2006	1
2009	2
2011	1
2013	3
2014	1
2015	1
2018	2
2019	2
2020	1
2021	2
2022	2
2023	3
2024	1

1

Neutron Scattering Techniques for Studying Metal Complexes in Aqueous Solution.

Scalambra F, Imberti S, Holzmann N, Bernasconi L, Romerosa A. Scalambra F, et al. Among authors: bernasconi l. ACS Omega. 2021 Jan 5;6(3):1751-1757. doi: 10.1021/acsomega.0c05030. eCollection 2021 Jan 26. ACS Omega. 2021. PMID: 33521416 Free PMC article. Review.

2

Theoretical Study on the Optoelectronic Properties of Merocyanine-Dyes.

Tomar R, Bernasconi L, Fazzi D, Bredow T. Tomar R, et al. Among authors: bernasconi l. J Phys Chem A. 2023 Nov 23;127(46):9661-9671. doi: 10.1021/acs.jpca.3c04226. Epub 2023 Nov 14. J Phys Chem A. 2023. PMID: 37962297

3

In Silico Demonstration of Fast Anhydrous Proton Conduction on Graphanol.

Achar SK, Bernasconi L, DeMaio RI, Howard KR, Johnson JK. Achar SK, et al. Among authors: bernasconi l. ACS Appl Mater Interfaces. 2023 May 31;15(21):25873-25883. doi: 10.1021/acsami.3c04022. Epub 2023 May 16. ACS Appl Mater Interfaces. 2023. PMID: 37192530 Free PMC article.

4

Combined Deep Learning and Classical Potential Approach for Modeling Diffusion in UiO-66.

Achar SK, Wardzala JJ, Bernasconi L, Zhang L, Johnson JK. Achar SK, et al. Among authors: bernasconi l. J Chem Theory Comput. 2022 Jun 14;18(6):3593-3606. doi: 10.1021/acs.jctc.2c00010. Epub 2022 Jun 2. J Chem Theory Comput. 2022. PMID: 35653218

5

Machine Learning Electron Density Prediction Using Weighted Smooth Overlap of Atomic Positions.

Achar SK, Bernasconi L, Johnson JK. Achar SK, et al. Among authors: bernasconi l. Nanomaterials (Basel). 2023 Jun 13;13(12):1853. doi: 10.3390/nano13121853. Nanomaterials (Basel). 2023. PMID: 37368284 Free PMC article.

6

Solvation of Na^? in the Sodide Solution, LiNa?10MeNH₂.

Seel AG, Holzmann N, Imberti S, Bernasconi L, Edwards PP, Cullen PL, Howard CA, Skipper NT. Seel AG, et al. Among authors: bernasconi l. J Phys Chem B. 2019 Jun 27;123(25):5337-5342. doi: 10.1021/acs.jpcb.9b03792. Epub 2019 Jun 12. J Phys Chem B. 2019. PMID: 31144816 Free PMC article.

7

The binding of atomic hydrogen on graphene from density functional theory and diffusion Monte Carlo calculations.

Dumi A, Upadhyay S, Bernasconi L, Shin H, Benali A, Jordan KD. Dumi A, et al. Among authors: bernasconi l. J Chem Phys. 2022 Apr 14;156(14):144702. doi: 10.1063/5.0085982. J Chem Phys. 2022. PMID: 35428395

8

Ab Initio Molecular Dynamics Simulations of the S_N1/S_N2 Mechanistic Continuum in Glycosylation Reactions.

Fu Y, Bernasconi L, Liu P. Fu Y, et al. Among authors: bernasconi l. J Am Chem Soc. 2021 Jan 27;143(3):1577-1589. doi: 10.1021/jacs.0c12096. Epub 2021 Jan 13. J Am Chem Soc. 2021. PMID: 33439656 Free PMC article.

9

Comprehensive Analysis of Methyl-β-D-ribofuranoside: A Multifaceted Spectroscopic and Theoretical Approach.

Pascariu M, Bernasconi L, Krzystyniak M, Taylor J, Rudić S. Pascariu M, et al. Among authors: bernasconi l. J Phys Chem A. 2024 Mar 21;128(11):2111-2120. doi: 10.1021/acs.jpca.4c00266. Epub 2024 Mar 12. J Phys Chem A. 2024. PMID: 38469744 Free PMC article.

10

Time-Dependent Density-Functional Theory for Modeling Solid-State Fluorescence Emission of Organic Multicomponent Crystals.

Arhangelskis M, Jochym DB, Bernasconi L, Friščić T, Morris AJ, Jones W. Arhangelskis M, et al. Among authors: bernasconi l. J Phys Chem A. 2018 Sep 20;122(37):7514-7521. doi: 10.1021/acs.jpca.8b03481. Epub 2018 Sep 11. J Phys Chem A. 2018. PMID: 30160965

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