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List of works by Clotilde S. Cucinotta

Ab Initio Exploration of Rearrangement Reactions: Intramolecular Hydrogen Scrambling Processes in Acetone

scientific article published on 01 December 2006

Ab Initio Molecular Dynamics Study of the Keto–Enol Tautomerism of Acetone in Solution

article

Ab Initio Study of Chemisorption Reactions for Carboxylic Acids on Hydrogenated Silicon Surfaces

article

Basal-Plane Functionalization of Chemically Exfoliated Molybdenum Disulfide by Diazonium Salts

article

Bifunctional catalysis by natural cinchona alkaloids: a mechanism explained.

scientific article published in August 2009

Competitive Chemisorption of Bifunctional Carboxylic Acids on H:Si(100): A First-Principles Study

Correction to “First Principles Study of the LiNH2/Li2NH Transformation”

scholarly article published in Journal of Physical Chemistry C

Current-induced phonon renormalization in molecular junctions

scholarly article in Physical Review B, vol. 94 no. 3, July 2016

Electrochemical Interfaces for Energy Storage and Conversion

Electronic Properties and Chemical Reactivity of TiS2 Nanoflakes

First Principles Study of Electron Tunneling through Ice

First Principles Study of Hydrogen Desorption from the NaAlH4 Surface Doped by Ti Clusters

First Principles Study of the LiNH2/Li2NH Transformation

article

Hydrogen oxidation reaction at the Ni/YSZ anode of solid oxide fuel cells from first principles

scientific article published on 8 November 2011

Liquid exfoliation of solvent-stabilized few-layer black phosphorus for applications beyond electronics

scientific article published on 15 October 2015

Materials and Molecular Modeling at the Exascale

scientific article published on 07 January 2022

Solvent Exfoliation of Transition Metal Dichalcogenides: Dispersibility of Exfoliated Nanosheets Varies Only Weakly between Compounds

article

Superionic Conduction in Substoichiometric LiAl Alloy: An Ab Initio Study

scientific article published in Physical Review Letters

Tailoring the electronic properties of silicon with cysteine: A first-principles study

scholarly article in Physical Review B, vol. 72 no. 24, December 2005

The role of water at electrified metal-water interfaces unravelled from first principles

scientific article published in 2022

Unravelling the Shuttling Mechanism in a Photoswitchable Multicomponent Bistable Rotaxane

scientific article published on 01 January 2008

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