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Lista de obras de Giovanni Di Liberto

"Divide and conquer" semiclassical molecular dynamics: A practical method for spectroscopic calculations of high dimensional molecular systems

artículo científico publicado en 2018

"Divide-and-conquer" semiclassical molecular dynamics: An application to water clusters

artículo científico publicado en 2018

A quantum mechanical insight into S2 reactions: Semiclassical initial value representation calculations of vibrational features of the Cl⋯CHCl pre-reaction complex with the VENUS suite of codes

artículo científico publicado en 2018

Atomistic Explanation for Interlayer Charge Transfer in Metal-Semiconductor Nanocomposites: The Case of Silver and Anatase.

artículo científico publicado en 2017

Azide-Alkyne Click Chemistry over a Heterogeneous Copper-Based Single-Atom Catalyst

artículo científico publicado en 2022

Band Gap of 3D Metal Oxides and Quasi-2D Materials from Hybrid Density Functional Theory: Are Dielectric-Dependent Functionals Superior?

artículo científico publicado en 2019

Impregnation versus Bulk Synthesis: How the Synthetic Route Affects the Photocatalytic Efficiency of Nb/Ta:N Codoped TiO2 Nanomaterials

scholarly article by Luca Rimoldi et al published 8 October 2015 in Journal of Physical Chemistry C

Nature of SrTiO3/TiO2 (anatase) heterostructure from hybrid density functional theory calculations

artículo científico publicado en 2020

Nitrogen doping in coexposed (001)-(101) anatase TiO2 surfaces: a DFT study

scientific article published on 19 September 2019

Protonated glycine supramolecular systems: the need for quantum dynamics

scientific article published on 17 September 2018

Quantum confinement in chalcogenides 2D nanostructures from first principles

artículo científico publicado en 2022

Reduced rovibrational coupling Cartesian dynamics for semiclassical calculations: Application to the spectrum of the Zundel cation

artículo científico publicado en 2019

Role of Heterojunction in Charge Carrier Separation in Coexposed Anatase (001)-(101) Surfaces

scientific article published on 29 April 2019

Role of surface termination in forming type-II photocatalyst heterojunctions: the case of TiO2/BiVO4

artículo científico publicado en 2020

Theoretical treatment of semiconductor heterojunctions for photocatalysis: the WO3/BiVO4 interface

artículo científico publicado en 2019

Unraveling the Cooperative Mechanism of Visible-Light Absorption in Bulk N,Nb Codoped TiO2 Powders of Nanomaterials

scholarly article by Chiara Marchiori et al published 6 October 2014 in Journal of Physical Chemistry C

Vibrational investigation of nucleobases by means of divide and conquer semiclassical dynamics

scientific article published on 01 June 2019

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