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Mostrati risultati da 588 a 607 di 1.950
Titolo Data di pubblicazione Autori Tipo File
E T1.0: An open source electronic structure program with emphasis on coupled cluster and multilevel methods 2020 Balbi A.Coriani S.Giovannini T.Goletto L.Hutcheson A.Moitra T.Scavino M.Koch H. + 1.1 Articolo in rivista
E-HEME STRUCTURE IN CU,ZN SUPEROXIDE DISMUTASE FROM HAEMOPHILUS DUCREYI BY X-RAY ABSORPTION SPECTROSCOPY. ARCHIVES OF BIOCHEMISTRY AND BIOPHYSICS 2010 MANCINI, GIORDANO + 1.1 Articolo in rivista
Editorial 2004 BARONE, Vincenzo 1.1 Articolo in rivista
EFFECT OF DIFFERENT SHIELDING GROUPS ON THE POLY-ELECTROLYTE BEHAVIOR OF POLYAMINES 1983 BARONE, Vincenzo + 1.1 Articolo in rivista
Effect of halloysite nanotubes filler on polydopamine properties 2019 d'Ischia M. + 1.1 Articolo in rivista
The effect of intermolecular interactions on the electric properties of helium and argon. I. Ab initio calculation of the interaction induced polarizability and hyperpolarizability in He-2 and Ar-2 1999 Koch, HRizzo, A + 1.1 Articolo in rivista
The effect of intermolecular interactions on the electric properties of helium and argon. II. The dielectric, refractivity, Kerr, and hyperpolarizability second virial coefficients 1999 Koch, HenrikRIZZO, ANTONIO + 1.1 Articolo in rivista
The effect of intermolecular interactions on the electric properties of helium and argon. III - Quantum statistical calculations of the dielectric second virial coefficients 2002 Rizzo, AntonioKoch, Henrik + 1.1 Articolo in rivista
Effect of metal ions on the kinetics of tyrosine oxidation catalyzed by tyrosinase 1985 D'Ischia M. + 1.1 Articolo in rivista
Effect of metal ions on the rearrangement of dopachrome 1987 M. D'ISCHIA + 1.1 Articolo in rivista
Effect of the Environment on Vibrational Infrared and Circular Dichroism Spectra of (S)-Proline 2005 CAPPELLI, Chiara + 1.1 Articolo in rivista
Effect of the Zn2+ and Hg2+ Ions on the Structure of Liquid Water 2011 MANCINI, GIORDANO + 1.1 Articolo in rivista
An Effective and Automated Processing of Resonances in Vibrational Perturbation Theory Applied to Spectroscopy 2022 Yang, QinBloino, Julien 1.1 Articolo in rivista
Effective Computational Route to Vibrational Optical Activity Spectra of Chiral Molecules in Aqueous Solution 2018 Giovannini, TommasoDel Frate, GianlucaLafiosca, PieroCappelli, Chiara 1.1 Articolo in rivista
An Effective Fully Polarizable QM/MM Approach to Model Vibrational Circular Dichroism Spectra of Systems in Aqueous Solutions 2016 GIOVANNINI, TOMMASOCAPPELLI, Chiara + 1.1 Articolo in rivista
Effective fully polarizable QM/MM approaches to compute Raman and Raman Optical Activity spectra in aqueous solution 2023 Sepali, ChiaraLafiosca, PieroGómez, SaraGiovannini, TommasoCappelli, Chiara 1.1 Articolo in rivista
Effective generation of molecular cavities in the polarizable continuum model by the DefPol procedure 1999 BARONE, Vincenzo + 1.1 Articolo in rivista
Effective Inclusion of Mechanical and Electrical Anharmonicity in Excited Electronic States: VPT2-TDDFT Route 2017 Egidi, FrancoBaiardi, AlbertoBloino, JulienScalmani, GiovanniBarone, Vincenzo + 1.1 Articolo in rivista
Effective method for the computation of optical spectra of large molecules at finite temperature including the Duschinsky and Herzberg–Teller effect: The Qx band of porphyrin as a case study 2008 J. BLOINOBARONE, Vincenzo + 1.1 Articolo in rivista
Effective method to compute Franck-Condon integrals for optical spectra of large molecules in solution 2007 J. BLOINOBARONE, Vincenzo + 1.1 Articolo in rivista
Mostrati risultati da 588 a 607 di 1.950
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