Franklin-Mergarejo R - Search Results

1

Large shift and small broadening of Br2 valence band upon dimer formation with H2O: an ab initio study.

Franklin-Mergarejo R, Rubayo-Soneira J, Halberstadt N, Ayed T, Bernal-Uruchurtu MI, Hernández-Lamoneda R, Janda KC. Franklin-Mergarejo R, et al. J Phys Chem A. 2011 Jun 16;115(23):5983-91. doi: 10.1021/jp110389z. Epub 2011 Feb 1. J Phys Chem A. 2011. PMID: 21284388

2

An ab initio calculation of the valence excitation spectrum of H2O...Cl2: comparison to condensed phase spectra.

Franklin-Mergarejo R, Rubayo-Soneira J, Halberstadt N, Ayed T, Bernal Uruchurtu MI, Hernández-Lamoneda R, Janda KC. Franklin-Mergarejo R, et al. J Phys Chem A. 2009 Jul 2;113(26):7563-9. doi: 10.1021/jp901488x. J Phys Chem A. 2009. PMID: 19419140

3

A theoretical simulation of the resonant Raman spectroscopy of the H2O⋯Cl2 and H2O⋯Br2 halogen-bonded complexes.

Franklin-Mergarejo R, Rubayo-Soneira J, Halberstadt N, Janda KC, Apkarian VA. Franklin-Mergarejo R, et al. J Chem Phys. 2016 Feb 7;144(5):054307. doi: 10.1063/1.4940778. J Chem Phys. 2016. PMID: 26851921

4

Electronic Energy Relaxation in a Photoexcited Fully Fused Edge-Sharing Carbon Nanobelt.

Freixas VM, Oldani N, Franklin-Mergarejo R, Tretiak S, Fernandez-Alberti S. Freixas VM, et al. Among authors: franklin mergarejo r. J Phys Chem Lett. 2020 Jun 18;11(12):4711-4719. doi: 10.1021/acs.jpclett.0c01351. Epub 2020 Jun 3. J Phys Chem Lett. 2020. PMID: 32464064

5

Phonon bottleneck and long-lived excited states in π-conjugated pyrene hoop.

Franklin-Mergarejo R, Nelson T, Tretiak S, Fernandez-Alberti S. Franklin-Mergarejo R, et al. Phys Chem Chem Phys. 2017 Apr 5;19(14):9478-9484. doi: 10.1039/c7cp00094d. Phys Chem Chem Phys. 2017. PMID: 28338127

6

Carbon nanorings with inserted acenes: breaking symmetry in excited state dynamics.

Franklin-Mergarejo R, Alvarez DO, Tretiak S, Fernandez-Alberti S. Franklin-Mergarejo R, et al. Sci Rep. 2016 Aug 10;6:31253. doi: 10.1038/srep31253. Sci Rep. 2016. PMID: 27507429 Free PMC article.

7

Phospholipids dock SARS-CoV-2 spike protein via hydrophobic interactions: a minimal in-silico study of lecithin nasal spray therapy.

Qaisrani MN, Belousov R, Rehman JU, Goliaei EM, Girotto I, Franklin-Mergarejo R, Güell O, Hassanali A, Roldán É. Qaisrani MN, et al. Among authors: franklin mergarejo r. Eur Phys J E Soft Matter. 2021 Oct 30;44(11):132. doi: 10.1140/epje/s10189-021-00137-3. Eur Phys J E Soft Matter. 2021. PMID: 34718875 Free PMC article.

8

Emergence of Electric Fields at the Water-C12E6 Surfactant Interface.

Gera R, Bakker HJ, Franklin-Mergarejo R, Morzan UN, Falciani G, Bergamasco L, Versluis J, Sen I, Dante S, Chiavazzo E, Hassanali AA. Gera R, et al. Among authors: franklin mergarejo r. J Am Chem Soc. 2021 Sep 22;143(37):15103-15112. doi: 10.1021/jacs.1c05112. Epub 2021 Sep 9. J Am Chem Soc. 2021. PMID: 34498857

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