de la Lande A - Search Results

1

Attosecond dynamics simulations of glycine irradiated by α-particle: Comment on "A never-ending story in the sky: The secrets of chemical evolution" by C. Puzzarini and V. Barone.

Parise A, de la Lande A, Marino T, Russo N. Parise A, et al. Among authors: de la lande a. Phys Life Rev. 2020 Mar;32:114-116. doi: 10.1016/j.plrev.2019.08.012. Epub 2019 Aug 22. Phys Life Rev. 2020. PMID: 31451435 No abstract available.

2

The physical stage of radiolysis of solvated DNA by high-energy-transfer particles: insights from new first principles simulations.

Alvarez-Ibarra A, Parise A, Hasnaoui K, de la Lande A. Alvarez-Ibarra A, et al. Among authors: de la lande a. Phys Chem Chem Phys. 2020 Apr 15;22(15):7747-7758. doi: 10.1039/d0cp00165a. Phys Chem Chem Phys. 2020. PMID: 32236260

3

Multicomponent density functional theory with density fitting.

Mejía-Rodríguez D, de la Lande A. Mejía-Rodríguez D, et al. Among authors: de la lande a. J Chem Phys. 2019 May 7;150(17):174115. doi: 10.1063/1.5078596. J Chem Phys. 2019. PMID: 31067862

4

Anisotropic magnetic field effects in the re-oxidation of cryptochrome in the presence of scavenger radicals.

Deviers J, Cailliez F, de la Lande A, Kattnig DR. Deviers J, et al. Among authors: de la lande a. J Chem Phys. 2022 Jan 14;156(2):025101. doi: 10.1063/5.0078115. J Chem Phys. 2022. PMID: 35032990

5

Electron transfer, decoherence, and protein dynamics: insights from atomistic simulations.

Narth C, Gillet N, Cailliez F, Lévy B, de la Lande A. Narth C, et al. Among authors: de la lande a. Acc Chem Res. 2015 Apr 21;48(4):1090-7. doi: 10.1021/ar5002796. Epub 2015 Mar 2. Acc Chem Res. 2015. PMID: 25730126

6

Chlorophyll and pheophytin protonated and deprotonated ions: Observation and theory.

Diop M, El-Hayek M, Attard J, Muhieddine A, Veremeienko V, Soorkia S, Carbonnière P, de la Lande A, Soep B, Shafizadeh N. Diop M, et al. Among authors: de la lande a. J Chem Phys. 2023 Nov 21;159(19):194308. doi: 10.1063/5.0174351. J Chem Phys. 2023. PMID: 37987519

7

Singlet-triplet gaps in large multireference systems: spin-flip-driven alternatives for bioinorganic modeling.

de la Lande A, Moliner V, Parisel O. de la Lande A, et al. J Chem Phys. 2007 Jan 21;126(3):035102. doi: 10.1063/1.2423010. J Chem Phys. 2007. PMID: 17249901

8

QM/MM study of l-lactate oxidation by flavocytochrome b2.

Gillet N, Ruiz-Pernía JJ, de la Lande A, Lévy B, Lederer F, Demachy I, Moliner V. Gillet N, et al. Among authors: de la lande a. Phys Chem Chem Phys. 2016 Jun 21;18(23):15609-18. doi: 10.1039/c6cp00395h. Epub 2016 May 25. Phys Chem Chem Phys. 2016. PMID: 27220613

9

The mystery of sub-picosecond charge transfer following irradiation of hydrated uridine monophosphate.

de la Lande A, Denisov S, Mostafavi M. de la Lande A, et al. Phys Chem Chem Phys. 2021 Sep 29;23(37):21148-21162. doi: 10.1039/d0cp06482c. Phys Chem Chem Phys. 2021. PMID: 34528029

10

Quantum effects in biological electron transfer.

de la Lande A, Babcock NS, Rezáč J, Lévy B, Sanders BC, Salahub DR. de la Lande A, et al. Phys Chem Chem Phys. 2012 May 7;14(17):5902-18. doi: 10.1039/c2cp21823b. Epub 2012 Mar 20. Phys Chem Chem Phys. 2012. PMID: 22434318

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