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Items: 5

1.

The Role of Electron Transfer in the Fragmentation of Phenyl and Cyclohexyl Boronic Acids.

Lozano AI, Pamplona B, Kilich T, Łabuda M, Mendes M, Pereira-da-Silva J, García G, Gois PMP, Ferreira da Silva F, Limão-Vieira P.

Int J Mol Sci. 2019 Nov 8;20(22). pii: E5578. doi: 10.3390/ijms20225578.

2.

Furan Fragmentation in the Gas Phase: New Insights from Statistical and Molecular Dynamics Calculations.

Erdmann E, Łabuda M, Aguirre NF, Díaz-Tendero S, Alcamí M.

J Phys Chem A. 2018 Apr 26;122(16):4153-4166. doi: 10.1021/acs.jpca.8b00881. Epub 2018 Apr 11.

PMID:
29543456
3.

Modelling charge transfer processes in C2+-tetrahydrofuran collision for ion-induced radiation damage in DNA building blocks.

Erdmann E, Bacchus-Montabonel MC, Łabuda M.

Phys Chem Chem Phys. 2017 Aug 2;19(30):19722-19732. doi: 10.1039/c7cp02100c.

PMID:
28540940
4.

Theoretical Assessment of Excited State Gradients and Resonance Raman Intensities for the Azobenzene Molecule.

Staniszewska M, Kupfer S, Łabuda M, Guthmuller J.

J Chem Theory Comput. 2017 Mar 14;13(3):1263-1274. doi: 10.1021/acs.jctc.6b00966. Epub 2017 Feb 7.

PMID:
28118003
5.

A wavepacket study of the low-energy charge transfer process in the S(3+) + H reaction using time-resolved electronic densities.

Łabuda M, González-Vázquez J, González L.

Phys Chem Chem Phys. 2010;12(20):5439-45. doi: 10.1039/b926825a. Epub 2010 Apr 8.

PMID:
20379580

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