Roca-Sanjuán D - Search Results

1

Complete-active-space second-order perturbation theory (CASPT2//CASSCF) study of the dissociative electron attachment in canonical DNA nucleobases caused by low-energy electrons (0-3 eV).

Francés-Monerris A, Segarra-Martí J, Merchán M, Roca-Sanjuán D. Francés-Monerris A, et al. J Chem Phys. 2015 Dec 7;143(21):215101. doi: 10.1063/1.4936574. J Chem Phys. 2015. PMID: 26646889

2

Determination of the lowest-energy oxidation site in nucleotides: 2'-deoxythymidine 5'-monophosphate anion.

Rubio M, Roca-Sanjuan D, Merchan M, Serrano-Andrés L. Rubio M, et al. J Phys Chem B. 2006 Jun 1;110(21):10234-5. doi: 10.1021/jp0618429. J Phys Chem B. 2006. PMID: 16722723

3

Ab initio determination of the ionization potentials of DNA and RNA nucleobases.

Roca-Sanjuán D, Rubio M, Merchán M, Serrano-Andrés L. Roca-Sanjuán D, et al. J Chem Phys. 2006 Aug 28;125(8):084302. doi: 10.1063/1.2336217. J Chem Phys. 2006. PMID: 16965007

4

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. J Chem Phys. 2006 Dec 21;125(23):231102. doi: 10.1063/1.2408411. J Chem Phys. 2006. PMID: 17190539

5

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. 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

6

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. J Chem Phys. 2008 Sep 7;129(9):095104. doi: 10.1063/1.2958286. J Chem Phys. 2008. PMID: 19044892

7

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. J Phys Chem B. 2009 Feb 26;113(8):2451-7. doi: 10.1021/jp806105h. J Phys Chem B. 2009. PMID: 19182942

8

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. 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

9

Ab initio determination of the ionization potentials of water clusters (H2O)n (n = 2-6).

Segarra-Martí J, Merchán M, Roca-Sanjuán D. Segarra-Martí J, et al. J Chem Phys. 2012 Jun 28;136(24):244306. doi: 10.1063/1.4730301. J Chem Phys. 2012. PMID: 22755573

10

On the photophysics and photochemistry of the water dimer.

Segarra-Martí J, Roca-Sanjuán D, Merchán M, Lindh R. Segarra-Martí J, et al. J Chem Phys. 2012 Dec 28;137(24):244309. doi: 10.1063/1.4772187. J Chem Phys. 2012. PMID: 23277938

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