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Mostrati risultati da 41 a 60 di 138
Titolo Data di pubblicazione Autori File
Density-functional theory study of electric andmagnetic properties of hexafluorobenzene in the vapor phase 1-gen-2005 CORIANI, Sonia +
The accuracy of ab initio molecular geometries for systems containingsecond-row atoms 1-gen-2005 CORIANI, Sonia +
Polarizable continuum model study of solvent effects on electron circular dichroism parameters 1-gen-2005 CORIANI, Sonia +
Optical rotation calculation of a highly flexible molecule: the case of paraconic acid 1-gen-2005 MARCHESAN, DOMENICOCORIANI, SoniaFORZATO, CristinaNITTI, PATRIZIAPITACCO, GIULIANA +
Accurate geometries from ab initio calculations: systems containing second-row atoms and transition metals 1-gen-2005 CORIANI, SoniaMARCHESAN, DOMENICO +
A combined experimental and computational strategy in the assignment of absolute configurations of 4-methyl-5-oxo-tetrahydrofuran-3-carboxylic acids and their esters 1-gen-2005 FORZATO, CristinaNITTI, PATRIZIAPITACCO, GIULIANACORIANI, SoniaVALENTIN, ENNIO +
A combined density functional/polarizable continuum model study of magnetochiral birefringence: Can theory and experiment be brought to agreement? 1-gen-2006 CORIANI, Sonia +
Optically induced circular and axial birefringences in achiral fluids: an ab initio study of the optical Faraday effect 1-gen-2006 CORIANI, Sonia +
The nuclear spin-rotation constants of HCY, HSiY, and SiY2 (Y=F, Cl). An ab initio study 1-gen-2006 CORIANI, Sonia +
From Pentalene to dicyclopenta[b,g]naphtalene, or the change towards delocalized structures 1-gen-2006 CORIANI, Sonia +
Accurate NLO properties for small molecules. Methods and results. 1-gen-2006 CORIANI, Sonia +
Non linear effects in the interaction of time-dependent fields and chiral systems. A computational investigation 1-gen-2006 CORIANI, Sonia +
The equilibrium structure of ferrocene 1-gen-2006 CORIANI, Sonia +
Solvent effects on the conformational distribution and optical rotation of g-methyl paraconic acids and esters 1-gen-2006 CORIANI, SoniaFORZATO, CristinaMARCHESAN, DOMENICONITTI, PATRIZIAPITACCO, GIULIANA +
Towards black-box linear scaling optimization in Hartree-Fock and Kohn-Sham theories 1-gen-2006 CORIANI, Sonia +
Gauge-Origin-Independent Coupled Cluster Singles and Doubles Calculation of Magnetic Circular Dichroism of Azabenzenes and Phosphabenzene Using London Orbitals 1-gen-2007 CORIANI, Sonia +
Linear scaling implementation of molecular electronic self-consistent field theory. 1-gen-2007 CORIANI, Sonia +
Linear-scaling implementation of molecular response theory in self-consistent field electronic-structure theory. 1-gen-2007 CORIANI, Sonia +
Investigation of electric-field-gradient-induced birefringence in H2 and D2 1-gen-2007 CORIANI, Sonia +
An IEF-PCM study of solvent effects on the Faraday B term of MCD 1-gen-2008 CORIANI, Sonia +
Mostrati risultati da 41 a 60 di 138
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