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An all-electron 4-component Dirac-Kohn-Sham procedure for large molecules and clusters containing heavy elements. 2008 Leonardo, Belpassi; Francesco, Tarantelli; Antonio, Sgamellotti; Storchi, Loriano; Harry M., Quiney
liblogd 2008 Storchi, Loriano; Molecular, Discovery
Do pKa predictions matter anymore? 2008 Gabriele, Cruciani; Francesca, Milletti; Storchi, Loriano; Gianluca, Sforna
Double photoionization of thiophene and bromine-substituted thiophenes 2008 P., Linusson; Storchi, Loriano; F., Heijkenskjold; E., Andersson; M., Elshakre; B., Pfeifer; M., Colombet; J. H. D., Eland; L., Karlsson; J. . ., E.; F., Tarantelli; R., Feifel
The Auger spectroscopy of pyrimidine and halogen-substituted pyrimidines 2008 Storchi, Loriano; F., Tarantelli; S., Veronesi; P., Bolognesi; E., Fainelli; L., Avaldi
Double photoionisation of thiophene and bromine substituted thiophenes 2008 P., Linusson; Storchi, Loriano; F., Heijkenskjöld; E., Andersson; M., Elshakre; J. H. D., Eland; L., Karlsson; M., Larsson; J. E., Rubensson; F., Tarantelli; R., Feifel
MoKa 2009 Storchi, Loriano; Molecular, Discovery
MoKaBio 2009 Storchi, Loriano; Molecular, Discovery
Chemical Characterization of Super Heavy Elements by four-component relativistic DFT. (CCSHE) 2009 Leonardo, Belpassi; Storchi, Loriano; Francesco, Tarantelli
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., Heijkenskjold; A., Gengelbach; L., Karlsson; T., Hansson; F., Tarantelli; R., Feifel
Predicting protein pK(a) by environment similarity 2009 F., Milletti; Storchi, Loriano; G., Cruciani
Implementation and Use of a Direct, Partially Integral-Driven Non-Dyson Propagator Method for Molecular Ionization 2009 Storchi, Loriano; G., Vitillaro; F., Tarantelli
Tautomer Enumeration and Stability Prediction for Virtual Screening on Large Chemical Databases 2009 F., Milletti; Storchi, Loriano; G., Sforna; S., Cross; G., Cruciani
In silico pK(a) Prediction and ADME Profiling 2009 G., Cruciani; F., Milletti; Storchi, Loriano; G., Sforna; L., Goracci
Molecular photoionization cross sections by Stieltjes-Chebyshev moment theory applied to Lanczos pseudospectra 2009 K., Gokhberg; V., Vysotskiy; L. S., Cederbaum; Storchi, Loriano; F., Tarantelli; V., Averbukh
BERTHA 2010 Storchi, Loriano; L., Belpassi; F., Tarantelli; H. M., Quiney; H., Skaane; I. P., Grant
fixpdb 2010 Storchi, Loriano; Molecular, Discovery
Chemical Characterization of Super-Heavy Elements by Relativistic Four-Component DFT 2010 Francesco, Tarantelli; Leonardo, Belpassi; Storchi, Loriano
Extending pK(a) prediction accuracy: High-throughput pK(a) measurements to understand pK(a) modulation of new chemical series 2010 F., Milletti; Storchi, Loriano; L., Goracci; S., Bendels; B., Wagner; M., Kansy; G., Cruciani
An Efficient Parallel All-Electron Four-Component Dirac-Kohn-Sham Program Using a Distributed Matrix Approach 2010 Storchi, Loriano; L., Belpassi; F., Tarantelli; A., Sgamellotti; H. M., Quiney
Mostrati risultati da 21 a 40 di 120
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