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Modeling proton-induced damage on 2-deoxy-D-ribose. Conformational analysis.
du Penhoat MA, López-Tarifa P, Ghose KK, Jeanvoine Y, Gaigeot MP, Vuilleumier R, Politis MF, Bacchus-Montabonel MC. du Penhoat MA, et al. Among authors: lopez tarifa p. J Mol Model. 2014 May;20(5):2221. doi: 10.1007/s00894-014-2221-9. Epub 2014 May 9. J Mol Model. 2014. PMID: 24810462
Ultrafast nonadiabatic fragmentation dynamics of doubly charged uracil in a gas phase.
López-Tarifa P, Hervé du Penhoat MA, Vuilleumier R, Gaigeot MP, Tavernelli I, Le Padellec A, Champeaux JP, Alcamí M, Moretto-Capelle P, Martín F, Politis MF. López-Tarifa P, et al. Phys Rev Lett. 2011 Jul 8;107(2):023202. doi: 10.1103/PhysRevLett.107.023202. Epub 2011 Jul 6. Phys Rev Lett. 2011. PMID: 21797602
Ultrafast Relaxation Dynamics of the Ethylene Cation C(2)H(4)+.
Ludwig A, Liberatore E, Herrmann J, Kasmi L, López-Tarifa P, Gallmann L, Rothlisberger U, Keller U, Lucchini M. Ludwig A, et al. Among authors: lopez tarifa p. J Phys Chem Lett. 2016 May 19;7(10):1901-6. doi: 10.1021/acs.jpclett.6b00646. Epub 2016 May 10. J Phys Chem Lett. 2016. PMID: 27139223
Siesta: Recent developments and applications.
García A, Papior N, Akhtar A, Artacho E, Blum V, Bosoni E, Brandimarte P, Brandbyge M, Cerdá JI, Corsetti F, Cuadrado R, Dikan V, Ferrer J, Gale J, García-Fernández P, García-Suárez VM, García S, Huhs G, Illera S, Korytár R, Koval P, Lebedeva I, Lin L, López-Tarifa P, Mayo SG, Mohr S, Ordejón P, Postnikov A, Pouillon Y, Pruneda M, Robles R, Sánchez-Portal D, Soler JM, Ullah R, Yu VW, Junquera J. García A, et al. Among authors: lopez tarifa p. J Chem Phys. 2020 May 29;152(20):204108. doi: 10.1063/5.0005077. J Chem Phys. 2020. PMID: 32486661
Charge migration and charge transfer in molecular systems.
Wörner HJ, Arrell CA, Banerji N, Cannizzo A, Chergui M, Das AK, Hamm P, Keller U, Kraus PM, Liberatore E, Lopez-Tarifa P, Lucchini M, Meuwly M, Milne C, Moser JE, Rothlisberger U, Smolentsev G, Teuscher J, van Bokhoven JA, Wenger O. Wörner HJ, et al. Among authors: lopez tarifa p. Struct Dyn. 2017 Dec 27;4(6):061508. doi: 10.1063/1.4996505. eCollection 2017 Nov. Struct Dyn. 2017. PMID: 29333473 Free PMC article. Review.
The CECAM electronic structure library and the modular software development paradigm.
Oliveira MJT, Papior N, Pouillon Y, Blum V, Artacho E, Caliste D, Corsetti F, de Gironcoli S, Elena AM, García A, García-Suárez VM, Genovese L, Huhn WP, Huhs G, Kokott S, Küçükbenli E, Larsen AH, Lazzaro A, Lebedeva IV, Li Y, López-Durán D, López-Tarifa P, Lüders M, Marques MAL, Minar J, Mohr S, Mostofi AA, O'Cais A, Payne MC, Ruh T, Smith DGA, Soler JM, Strubbe DA, Tancogne-Dejean N, Tildesley D, Torrent M, Yu VW. Oliveira MJT, et al. Among authors: lopez tarifa p. J Chem Phys. 2020 Jul 14;153(2):024117. doi: 10.1063/5.0012901. J Chem Phys. 2020. PMID: 32668924
12 results