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Mostrati risultati da 61 a 80 di 138
Titolo Data di pubblicazione Autori File
Complex polarization propagator calculations of magnetic circulardichroism spectra 1-gen-2008 CORIANI, Sonia +
The A and B Terms of Magnetic Circular Dichroism Revisited 1-gen-2008 CORIANI, Sonia +
Analytical calculations of frequency-dependent hypermagnetizabilities and Cotton–Mouton constants using London atomic orbitals 1-gen-2008 CORIANI, Sonia +
An ab-initio study of the magneto-optical rotation of diastereoisomers 1-gen-2008 CORIANI, Sonia +
A density matrix-based quasienergy formulation of Kohn-Sham density functional response theory using perturbation- and time-dependent basis sets 1-gen-2008 CORIANI, Sonia +
Hartree-Fock and Kohn-Sham time-dependent response theory in a second-quantization atomic-orbital formalism suitable for linear scaling 1-gen-2008 CORIANI, Sonia +
In silico determination of spectroscopic properties: a few recent methodological and applicative results. Geometrical and magnetic gradients of linear response properties: A Lagrangian approach 1-gen-2009 CORIANI, Sonia
Analytic calculations of the Buckingham birefringence using London atomic orbitals 1-gen-2009 CORIANI, Sonia +
Gauge-Origin Independent Formulation and Implementation of Magneto-Optical Activity within Atomic-Orbital-Density Based Hartree−Fock and Kohn−Sham Response Theories 1-gen-2009 CORIANI, Sonia +
Implementation of the Incremental Scheme for One-Electron First-Order Properties in Coupled-Cluster Theory 1-gen-2009 CORIANI, Sonia +
The calculation of adiabatic-connection curves from fullconfiguration-interaction (FCI) densities: two-electronsystems 1-gen-2009 CORIANI, Sonia +
Analytic ab initio calculations of Coherent anti-Stokes Raman Scattering (CARS) 1-gen-2009 CORIANI, Sonia +
Synthesis, characterization and assignment of the Absolute Configuration of 4,4-dimethyl-5-oxo-tetrahydrofuran-3-carboxylic acid and its esters: a combined experimental and theoretical investigation 1-gen-2009 CORIANI, SoniaFORZATO, CristinaNITTI, PATRIZIAPITACCO, GIULIANA +
Density-matrix based formulation of KS response theory with applications to linear and non-linear spectroscopies 1-gen-2010 CORIANI, Sonia
An atomic-orbital based Lagrangian approach for calculating geometric gradients of linear response properties 1-gen-2010 CORIANI, Sonia +
Range-dependent adiabatic connections 1-gen-2010 CORIANI, Sonia +
Accurate calculation and modeling of the adiabatic connection in density functional theory 1-gen-2010 CORIANI, Sonia +
Coupled cluster study of x-ray absorption spectroscopy: Near-edge x-ray fine structure from Lanczos-chain driven damped coupled cluster response theory 1-gen-2011 CORIANI, Sonia
Coupled cluster study of x-ray absorption spectroscopy: Near-edge x-ray fine structure from Lanczos-chain driven damped coupled cluster response theory 1-gen-2011 CORIANI, Sonia
Dalton, a molecular electronic structure program, Release Dalton2011 1-gen-2011 CORIANI, Sonia +
Mostrati risultati da 61 a 80 di 138
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