Rubio A - Search Results

1

TDDFT-Based Study on the Proton-DNA Collision.

Seraide R, Bernal MA, Brunetto G, de Giovannini U, Rubio A. Seraide R, et al. Among authors: rubio a. J Phys Chem B. 2017 Aug 3;121(30):7276-7283. doi: 10.1021/acs.jpcb.7b04934. Epub 2017 Jul 24. J Phys Chem B. 2017. PMID: 28679206

2

A TDDFT study of the excited states of DNA bases and their assemblies.

Varsano D, Di Felice R, Marques MA, Rubio A. Varsano D, et al. Among authors: rubio a. J Phys Chem B. 2006 Apr 13;110(14):7129-38. doi: 10.1021/jp056120g. J Phys Chem B. 2006. PMID: 16599476

3

Fingerprints of bonding motifs in DNA duplexes of adenine and thymine revealed from circular dichroism: synchrotron radiation experiments and TDDFT calculations.

Munksgaard Nielsen L, Holm AI, Varsano D, Kadhane U, Hoffmann SV, Di Felice R, Rubio A, Brøndsted Nielsen S. Munksgaard Nielsen L, et al. Among authors: rubio a. J Phys Chem B. 2009 Jul 16;113(28):9614-9. doi: 10.1021/jp9032029. J Phys Chem B. 2009. PMID: 19537699

4

Strong charge-transfer excitonic effects and the Bose-Einstein exciton condensate in graphane.

Cudazzo P, Attaccalite C, Tokatly IV, Rubio A. Cudazzo P, et al. Among authors: rubio a. Phys Rev Lett. 2010 Jun 4;104(22):226804. doi: 10.1103/PhysRevLett.104.226804. Epub 2010 Jun 1. Phys Rev Lett. 2010. PMID: 20867194

5

Substitution effects on the absorption spectra of nitrophenolate isomers.

Wanko M, Houmøller J, Støchkel K, Suhr Kirketerp MB, Petersen MÅ, Nielsen MB, Nielsen SB, Rubio A. Wanko M, et al. Among authors: rubio a. Phys Chem Chem Phys. 2012 Oct 5;14(37):12905-11. doi: 10.1039/c2cp41636k. Epub 2012 Aug 16. Phys Chem Chem Phys. 2012. PMID: 22898867

6

Simulating pump-probe photoelectron and absorption spectroscopy on the attosecond timescale with time-dependent density functional theory.

De Giovannini U, Brunetto G, Castro A, Walkenhorst J, Rubio A. De Giovannini U, et al. Among authors: rubio a. Chemphyschem. 2013 May 10;14(7):1363-76. doi: 10.1002/cphc.201201007. Epub 2013 Mar 20. Chemphyschem. 2013. PMID: 23520148

7

Solvent-mediated folding of dicarboxylate dianions: aliphatic chain length dependence and origin of the IR intensity quenching.

Wanko M, Wende T, Montes Saralegui M, Jiang L, Rubio A, Asmis KR. Wanko M, et al. Among authors: rubio a. Phys Chem Chem Phys. 2013 Dec 21;15(47):20463-72. doi: 10.1039/c3cp52824c. Epub 2013 Oct 30. Phys Chem Chem Phys. 2013. PMID: 24173210

8

Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems.

Andrade X, Strubbe D, De Giovannini U, Larsen AH, Oliveira MJ, Alberdi-Rodriguez J, Varas A, Theophilou I, Helbig N, Verstraete MJ, Stella L, Nogueira F, Aspuru-Guzik A, Castro A, Marques MA, Rubio A. Andrade X, et al. Among authors: rubio a. Phys Chem Chem Phys. 2015 Dec 21;17(47):31371-96. doi: 10.1039/c5cp00351b. Phys Chem Chem Phys. 2015. PMID: 25721500

9

Dynamical Processes in Open Quantum Systems from a TDDFT Perspective: Resonances and Electron Photoemission.

Larsen AH, De Giovannini U, Rubio A. Larsen AH, et al. Among authors: rubio a. Top Curr Chem. 2016;368:219-71. doi: 10.1007/128_2014_616. Top Curr Chem. 2016. PMID: 25860253

10

Effect of a Single Water Molecule on the Electronic Absorption by o- and p-Nitrophenolate: A Shift to the Red or to the Blue?

Houmøller J, Wanko M, Rubio A, Nielsen SB. Houmøller J, et al. Among authors: rubio a. J Phys Chem A. 2015 Nov 25;119(47):11498-503. doi: 10.1021/acs.jpca.5b08634. Epub 2015 Nov 16. J Phys Chem A. 2015. PMID: 26549521

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