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Mostrati risultati da 1 a 20 di 33
Titolo Data di pubblicazione Autore(i) File
Parallelization of a relativistic DFT code 2004 Belpassi, Leonardo; Storchi, Loriano; Tarantelli, Francesco; Sgamellotti, Antonio; Quiney, H. M.
Effects of nuclear dynamics in the low-kinetic-energy Auger spectra of CO and CO2 2005 V., Feyer; P., Bolognesi; M., Coreno; K. C., Prince; L., Avaldi; Storchi, Loriano; Tarantelli, Francesco
Complete valence double photoionisation of SF6 2005 R., Feifel; J. H. D., Eland; Storchi, Loriano; Tarantelli, Francesco
Site-selected Auger electron spectroscopy of N2O 2006 P., Bolognesi; M., Coreno; L., Avaldi; Storchi, Loriano; Tarantelli, Francesco
An experimental and theoretical study of double photoionisation of CF4 using time-of-flight photoelectron-photoelectron (photoion-photoion) coincidence spectroscopy 2006 R., Feifel; J. H. D., Eland; Storchi, Loriano; Tarantelli, Francesco
Computing molecular energy surfaces on a grid 2006 Storchi, Loriano; Tarantelli, Francesco; Lagana', Antonio
New and Original pK(a) Prediction Method Using Grid Molecular Interaction Fields 2007 Milletti, Francesca; Storchi, Loriano; Sforna, Gianluca; Cruciani, Gabriele
The Auger spectroscopy of pyrimidine and halogen-substituted pyrimidines 2008 Storchi, Loriano; Tarantelli, Francesco; P., Bolognesi; L., Avaldi
Double photoionization of thiophene and bromine-substituted thiophenes 2008 P., Linusson; Storchi, Loriano; F., Hejkenskjoeld; E., Andersson; M., Elshakre; B., Pfeifer; M., Colombet; J. H. D., Eland; L., Karlsson; J. E., Rubensson; Tarantelli, Francesco; R., Feifel
A photoelectron and double photoionization study of the valence electronic structure of 1,4-bromofluorobenzene 2009 M., Elshakre; Storchi, Loriano; T., Kloda; P., Linusson; F., Heijkenskjoeld; A., Gengelbach; J. H. D., Eland; L., Karlsson; T., Hansson; Tarantelli, Francesco; R., Feifel
Implementation and use of a direct, partially integral-driven non-Dyson propagator method for molecular ionization 2009 Storchi, Loriano; G., Vitillaro; Tarantelli, Francesco
Predicting protein pK(a) by environment similarity 2009 Milletti, Francesca; Storchi, Loriano; Cruciani, Gabriele
In silico pKa Prediction and ADME Profiling 2009 Cruciani, Gabriele; Milletti, Francesca; Storchi, Loriano; Sforna, Gianluca; Goracci, Laura
Tautomer Enumeration and Stability Prediction for Virtual Screening on Large Chemical Databases 2009 Milletti, Francesca; Storchi, Loriano; Sforna, Gianluca; Cross, S; Cruciani, Gabriele
Molecular photoionization cross-sections by Stieltjes-Chebyshev moment theory applied to Lanczos pseudospectra 2009 K., Gokhberg; V., Vysotskiy; L. S., Cederbaum; Storchi, Loriano; Tarantelli, Francesco; V., Averbukh
Chemical Characterization of Super-Heavy Elements by Four-Component DFT 2010 Tarantelli, Francesco; Belpassi, Leonardo; Storchi, Loriano
An efficient parallel all-electron 4-component Dirac-Kohn-Sham method using a distributed matrix approach 2010 Storchi, Loriano; Belpassi, Leonardo; Tarantelli, Francesco; Sgamellotti, Antonio; H. M., Quiney
Extending pKa prediction accuracy: High-throughput pKa measurements to understand pKa modulation of new chemical series 2010 Milletti, Francesca; Storchi, Loriano; Goracci, Laura; Bendels, S.; Wagner, B.; Kansy, M.; Cruciani, Gabriele
Radiationless decay in the region of 2t$_g$ and 4e$_g$ resonances in SF$_6$ 2011 P., Bolognesi; A., Kivimäki; P., O'Keeffe; V., Feyer; Tarantelli, Francesco; Storchi, Loriano; L., Avaldi
Recent advances and perspectives in four-component Dirac-Kohn-Sham calculations 2011 Belpassi, Leonardo; Storchi, Loriano; H. M., Quiney; Tarantelli, Francesco
Mostrati risultati da 1 a 20 di 33
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