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List of works by Giordano Mancini

Chemical promenades: Exploring potential-energy surfaces with immersive virtual reality

scientific article published on 14 February 2020

Computational Evidence for a Variable First Shell Coordination of the Cadmium(II) Ion in Aqueous Solution

article

Elusive Coordination of the Ag+ Ion in Aqueous Solution: Evidence for a Linear Structure

scientific article published on 24 November 2020

Experimental evidence for a variable first coordination shell of the cadmium(II) ion in aqueous, dimethyl sulfoxide, and N,N'-dimethylpropyleneurea solution.

scientific article

Molecular Dynamics Simulations Enforcing Nonperiodic Boundary Conditions: New Developments and Application to the Solvent Shifts of Nitroxide Magnetic Parameters

scientific article published on 08 March 2022

Quantitative analysis of deconvolved X-ray absorption near-edge structure spectra: a tool to push the limits of the X-ray absorption spectroscopy technique

scientific article

Structural Investigation of Lanthanoid Coordination: a Combined XANES and Molecular Dynamics Study

article

Tailor-made computational protocols for precise characterization of small biological building blocks using QM and MM approaches.

scientific article published on 9 March 2018

Towards the SMART workflow system for computational spectroscopy

scientific article published on 16 October 2018

Unsupervised search of low-lying conformers with spectroscopic accuracy: A two-step algorithm rooted into the island model evolutionary algorithm

scientific article published on 01 September 2020

XANES Reveals the Flexible Nature of Hydrated Strontium in Aqueous Solution

scientific article published on 11 April 2016

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