Merchán M - Search Results

1

Theoretical study of the hydroxyl radical addition to uracil and photochemistry of the formed U6OH• adduct.

Francés-Monerris A, Merchán M, Roca-Sanjuán D. Francés-Monerris A, et al. Among authors: merchan m. J Phys Chem B. 2014 Mar 20;118(11):2932-9. doi: 10.1021/jp412347k. Epub 2014 Mar 10. J Phys Chem B. 2014. PMID: 24571272

2

Determination of the electron-detachment energies of 2'-deoxyguanosine 5'-monophosphate anion: influence of the conformation.

Rubio M, Roca-Sanjuán D, Serrano-Andrés L, Merchán M. Rubio M, et al. Among authors: merchan m. J Phys Chem B. 2009 Feb 26;113(8):2451-7. doi: 10.1021/jp806105h. J Phys Chem B. 2009. PMID: 19182942

3

Photoinduced formation mechanism of the thymine-thymine (6-4) adduct.

Giussani A, Serrano-Andrés L, Merchán M, Roca-Sanjuán D, Garavelli M. Giussani A, et al. Among authors: merchan m. J Phys Chem B. 2013 Feb 21;117(7):1999-2004. doi: 10.1021/jp307200g. Epub 2013 Feb 11. J Phys Chem B. 2013. PMID: 23339629

4

Communication: Electronic UV-Vis transient spectra of the ∙OH reaction products of uracil, thymine, cytosine, and 5,6-dihydrouracil by using the complete active space self-consistent field second-order perturbation (CASPT2//CASSCF) theory.

Francés-Monerris A, Merchán M, Roca-Sanjuán D. Francés-Monerris A, et al. Among authors: merchan m. J Chem Phys. 2013 Aug 21;139(7):071101. doi: 10.1063/1.4818727. J Chem Phys. 2013. PMID: 23968062

5

Excitation of nucleobases from a computational perspective I: reaction paths.

Giussani A, Segarra-Martí J, Roca-Sanjuán D, Merchán M. Giussani A, et al. Among authors: merchan m. Top Curr Chem. 2015;355:57-97. doi: 10.1007/128_2013_501. Top Curr Chem. 2015. PMID: 24264958 Review.

6

Mechanism of the OH Radical Addition to Adenine from Quantum-Chemistry Determinations of Reaction Paths and Spectroscopic Tracking of the Intermediates.

Francés-Monerris A, Merchán M, Roca-Sanjuán D. Francés-Monerris A, et al. Among authors: merchan m. J Org Chem. 2017 Jan 6;82(1):276-288. doi: 10.1021/acs.joc.6b02393. Epub 2016 Dec 27. J Org Chem. 2017. PMID: 27957829

7

Toward the understanding of DNA fluorescence: the singlet excimer of cytosine.

Olaso-González G, Roca-Sanjuán D, Serrano-Andrés L, Merchán M. Olaso-González G, et al. Among authors: merchan m. J Chem Phys. 2006 Dec 21;125(23):231102. doi: 10.1063/1.2408411. J Chem Phys. 2006. PMID: 17190539

8

Molecular basis of DNA photodimerization: intrinsic production of cyclobutane cytosine dimers.

Roca-Sanjuán D, Olaso-González G, González-Ramírez I, Serrano-Andrés L, Merchán M. Roca-Sanjuán D, et al. Among authors: merchan m. J Am Chem Soc. 2008 Aug 13;130(32):10768-79. doi: 10.1021/ja803068n. Epub 2008 Jul 16. J Am Chem Soc. 2008. PMID: 18627152

9

Ab initio determination of the electron affinities of DNA and RNA nucleobases.

Roca-Sanjuán D, Merchán M, Serrano-Andrés L, Rubio M. Roca-Sanjuán D, et al. Among authors: merchan m. J Chem Phys. 2008 Sep 7;129(9):095104. doi: 10.1063/1.2958286. J Chem Phys. 2008. PMID: 19044892

10

On the deactivation mechanisms of adenine-thymine base pair.

Gobbo JP, Saurí V, Roca-Sanjuán D, Serrano-Andrés L, Merchán M, Borin AC. Gobbo JP, et al. Among authors: merchan m. J Phys Chem B. 2012 Apr 5;116(13):4089-97. doi: 10.1021/jp300583h. Epub 2012 Mar 26. J Phys Chem B. 2012. PMID: 22414119

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