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Giovanni Di Liberto

6PUBLICATIONS

10CO-AUTHORS

Solid state chemistryTheoretical quantum chemistry

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Publications (6)

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|May 17, 2020

Nature of SrTiO<sub>3</sub>/TiO<sub>2</sub> (anatase) heterostructure from hybrid density functional theory calculations.

Giovanni Di Liberto, Sergio Tosoni, Francesc Illas

|Sep 23, 2019

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

G Bertaina, G Di Liberto, M Ceotto

|Jun 17, 2019

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

Fabio Gabas, Giovanni Di Liberto, Michele Ceotto

|Nov 03, 2018

A quantum mechanical insight into S<sub>N</sub>2 reactions: Semiclassical initial value representation calculations of vibrational features of the Cl<sup>-</sup>⋯CH<sub>3</sub>Cl pre-reaction complex with the VENUS suite of codes.

Xinyou Ma, Giovanni Di Liberto, Riccardo Conte

|Mar 17, 2018

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

Giovanni Di Liberto, Riccardo Conte, Michele Ceotto

|Jan 08, 2018

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

Giovanni Di Liberto, Riccardo Conte, Michele Ceotto

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Frequent Collaborators

3 joint publications

Riccardo Conte

3 joint publications

Michele Ceotto

2 joint publications

Michele Ceotto

1 joint publications

G Bertaina

1 joint publications

Xinyou Ma

1 joint publications

William L Hase

1 joint publications

Fabio Gabas

1 joint publications

Sergio Tosoni

1 joint publications

Francesc Illas

1 joint publications

Gianfranco Pacchioni

Frequent Collaborators

3 joint publications

Riccardo Conte

3 joint publications

Michele Ceotto

2 joint publications

Michele Ceotto

1 joint publications

G Bertaina

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