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List of works by A. Marco Saitta

Ab InitioMolecular Dynamics Study of Dissociation of Water under an Electric Field

article

Ab initio molecular-dynamics study of electronic and optical properties of silicon quantum wires: Orientational effects

scientific article published on 01 January 1996

Clar's theory, pi-electron distribution, and geometry of graphene nanoribbons

scientific article published on 01 March 2010

Doping in carbon nanotubes probed by Raman and transport measurements

scientific article published on 25 September 2007

Effect of electric field orientation on the mechanical and electrical properties of water ices: an ab-initio study

scientific article published on 27 October 2014

Effect of salt on the H-bond symmetrization in ice

scientific article published on 22 June 2015

Efficient approach to time-dependent density-functional perturbation theory for optical spectroscopy.

scientific article published on 20 March 2006

Entropy from Correlations in TIP4P Water

scientific article published on 01 March 2010

Entropy-based measure of structural order in water.

scientific article published on 18 April 2006

Erratum: "Van der Waals effects in ab initio water at ambient and supercritical conditions" [J. Chem. Phys. 135, 154503 (2011)]

scientific article published on 01 November 2015

Formamide reaction network in gas phase and solution via a unified theoretical approach: Toward a reconciliation of different prebiotic scenarios

scientific article published on 23 November 2015

Giant nonadiabatic effects in layer metals: raman spectra of intercalated graphite explained

scientific article published on 02 June 2008

High density amorphous ices: disordered water towards close packing.

scientific article published in November 2004

High energy density mixed polymeric phase from carbon monoxide and nitrogen.

scientific article published on 4 December 2013

Liquid methanol under a static electric field

scientific article published on 01 February 2015

Miller experiments in atomistic computer simulations

scientific article

Multiple Ionic-Plasmon Resonances in Naturally Occurring Multiwall Nanotubes: Infrared Spectra of Chrysotile Asbestos

scientific article published in Physical Review Letters

Nature of the polyamorphic transition in ice under pressure

scientific article published on 19 January 2005

Novel superconducting skutterudite-type phosphorus nitride at high pressure from first-principles calculations.

scientific article

On the link between polyamorphism and liquid-liquid transition: The case of salty water

scientific article published on 01 July 2019

One-step electric-field driven methane and formaldehyde synthesis from liquid methanol

scientific article

Phonon dispersion of ice under pressure

scientific article published on 23 November 2004

Pressure-induced polyamorphism in salty water

scientific article published on 23 March 2011

Proton conduction in water ices under an electric field

scientific article published on 11 April 2014

Proton disorder and superionicity in hot dense ammonia ice

scientific article published on 19 April 2012

Quantum Monte Carlo Study of the Protonated Water Dimer

scientific article published in May 2014

Reply to Bada and Cleaves: Ab initio free-energy landscape of Miller-like prebiotic reactions

scientific article published on 8 January 2015

Six-fold-coordinated phosphorus by oxygen in AlPO4 quartz homeotype under high pressure

scientific article published on 29 July 2007

Strong electric fields at a prototypical oxide/water interface probed by ab initio molecular dynamics: MgO(001).

scientific article published on 21 July 2015

Structural characterization of eutectic aqueous NaCl solutions under variable temperature and pressure conditions

scientific article published on 08 May 2015

Structural properties of the amorphous ices: an analysis in terms of distance-ranked neighbors and angular correlations.

scientific article published in March 2006

Structure and phase diagram of high-density water: the role of interstitial molecules

scientific article published on 10 February 2003

Structure of carbon dioxide phase IV: breakdown of the intermediate bonding state scenario

scientific article published on 29 October 2009

Structure of dense liquid water by neutron scattering to 6.5 GPa and 670 K

scientific article published on 13 February 2006

Structure, stability, edge states, and aromaticity of graphene ribbons

scientific article published on 27 August 2008

Sulfur radical species form gold deposits on Earth.

scientific article

Superconductivity in Dopedsp3Semiconductors: The Case of the Clathrates

scientific article published in Physical Review Letters

The preparation and structure of salty ice VII under pressure

scientific article published on 06 April 2009

Translational and rotational diffusion in water in the Gigapascal range

scientific article published on 28 October 2013

Van der Waals effects in ab initio water at ambient and supercritical conditions

scientific article published on 01 October 2011

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