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List of works by Marcella Iannuzzi

A Force Field for Water over Pt(111): Development, Assessment and Comparison

scientific article published on 16 April 2018

Ab initio nanofluidics: disentangling the role of the energy landscape and of density correlations on liquid/solid friction

scientific article published on 19 May 2020

Aqueous Solvation of Ammonia and Ammonium: Probing Hydrogen Bond Motifs with FT-IR and Soft X-ray Spectroscopy.

scientific article published on 15 August 2017

Bifunctional Single Atom Electrocatalysts: Coordination-Performance Correlations and Reaction Pathways

scientific article published on 13 October 2020

CO<sub>2</sub> adsorption on the pristine and reduced CeO<sub>2</sub> (111) surface: Geometries and vibrational spectra by first principles simulations

scientific article published in 2021

Catalyst Proximity-Induced Functionalization of h-BN with Quat Derivatives

scientific article published on 27 August 2019

Characterization of the Platinum–Hydrogen Bond by Surface-Sensitive Time-Resolved Infrared Spectroscopy

scientific article published on 27 February 2018

Combined orbital tomography study of multi-configurational molecular adsorbate systems

scientific article published on 20 November 2019

Energy Decomposition Analysis for Metal Surface-Adsorbate Interactions by Block Localized Wave Functions

scientific article published on 07 December 2018

High-Quality Hexagonal Boron Nitride from 2D Distillation

scientific article published on 30 December 2020

Large-Scale Computation of Nuclear Magnetic Resonance Shifts for Paramagnetic Solids Using CP2K.

scientific article published on 28 November 2017

Probing hydrogen bond strength in liquid water by resonant inelastic X-ray scattering

scientific article published on 04 March 2019

Subsystem Density Functional Theory Augmented by a Delta Learning Approach to Achieve Kohn–Sham Accuracy

scientific article published on 10 September 2021

The impact of metalation on adsorption geometry, electronic level alignment and UV-stability of organic macrocycles on TiO2(110).

scientific article published on 15 June 2017

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