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Publications by Michele Cascella

Four-Component Relativistic 31P NMR Calculations for Trans-Platinum(ii) Complexes: Importance of the Solvent and Dynamics in Spectral Simulations

Dalton Transactions
Inorganic Chemistry
2019English

Hybrid Particle-Field Molecular Dynamics Simulations of Charged Amphiphiles in Aqueous Environment

2018English

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Fullerene C70 Characterization by 13C NMR and the Importance of the Solvent and Dynamics in Spectral Simulations

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2013English

Relativistic Four-Component Linear Damped Response TDDFT for Electronic Absorption and Circular Dichroism Calculations

Journal of Chemical Physics
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2019English

On the Origin and Contribution of the Diamagnetic Term in Four-Component Relativistic Calculations of Magnetic Properties

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1999English

Cis/Trans Influences on Bond Distances in Square-Planar Complexes. Crystal Structures of Trans-Dichlorobis(tetrahydrothiophene)palladium(II) and Trans-Dichlorobis(tetrahydrothiophene)platinum(II).

Acta Chemica Scandinavica
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31P NMR Investigation of Backbone Dynamics in DNA Binding Sites†

Journal of Physical Chemistry B
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2009English

THERMOGRAVIMETRIC, 31P NMR AND MASS SPECTROMETRIC STUDIES OF Cu(I) AMINOPHOSPHINE COMPLEXES

Rasayan Journal of Chemistry
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2017English

Platinum(II) Complexes With Carbazates and Hydrazides: Synthesis, Spectral Characterization, Computational Modeling, and Biological Studies

Polyhedron
Inorganic ChemistryMaterials ChemistryTheoretical ChemistryPhysical
2015English

Four-Component Relativistic Density Functional Theory With the Polarisable Continuum Model: Application to EPR Parameters and Paramagnetic NMR Shifts

Molecular Physics
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2016English

Relativistic Effects on NMR Parameters of Halogen-Bonded Complexes

Molecules
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