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THEORETICAL CHEMISTRY ACCOUNTS (INTERNET)
Rivista
Codice:
E191616
ISSN:
1432-2234
Dati Generali
Dati Generali
Pubblicazioni (7)
Accuracy of basis-set extrapolation schemes for DFT-RPA correlation energies in molecular calculations
Articolo
Computational 19F NMR. 1. General Features
Articolo
DFT/TDDFT investigation of the stepwise deprotonation in tetracycline: pKa assignment and UV-vis spectroscopy
Articolo
Electronic spectroscopy of a solvatochromic dye in water: comparison of static cluster/implicit and dynamical/explicit solvent models on structures and energies
Articolo
MD simulations of plant hemoglobins: the hexa- to penta-coordinate structural transition
Articolo
Spectroscopy from quantum dynamics: a mixed wave function/analytical line shape functions approach
Articolo
Theoretical investigation of molecular excited states of polar organic monolayers via an efficient embedding approach
Articolo
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