A State-Specific PCM-DFT method to include dynamic solvent effects in the calculation of ionization energies: Application to DNA bases(197 views visite) Muñoz-Losa A, Markovitsi D, Improta R
Chem Phys Lett (ISSN: 0009-2614), 2015; 634: 20-24.
Keywords Parole chiave: Design For Testability, Ionization Potential, Solvents, Computational Results, Consistent Performance, Dft Method, Dna Basis, First Hydration Shell, Functionals, Nucleobases, Solvent Effects,
Affiliations 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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35 Records (32 escludendo Abstract e Conferenze). Impact factor totale: 143.419 (132.858 escludendo Abstract e Conferenze). Impact factor a 5 anni totale: 156.572 (146.004 escludendo Abstract e Conferenze).
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