A State-Specific PCM-DFT method to include dynamic solvent effects in the calculation of ionization energies: Application to DNA bases(120 visite) Muñoz-Losa A, Markovitsi D, Improta R
Chem Phys Lett (ISSN: 0009-2614), 2015; 634: 20-24.
Tipo di articolo: Journal Article,
Impact factor: 1.86, Impact factor a 5 anni: 1.839
Parole chiave: Design For Testability, Ionization Potential, Solvents, Computational Results, Consistent Performance, Dft Method, Dna Basis, First Hydration Shell, Functionals, Nucleobases, Solvent Effects,
Affiliazioni:
*** IBB - CNR *** CNRS, Laboratoire Francis Perrin, URA 2453, Gif-sur-Yvette, France Istituto Biostrutture e Biommagini-CNR, Via Mezzocannone 16, Napoli, Italy
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32 Records (29 escludendo Abstract e Conferenze). Impact factor totale: 138.058 (127.497 escludendo Abstract e Conferenze). Impact factor a 5 anni totale: 151.792 (141.224 escludendo Abstract e Conferenze).