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Marcella Iannuzzi

2PUBLICATIONS
18CO-AUTHORS
Computational chemistryChemical thermodynamics and energetics
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Publications (2)

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|Mar 09, 2021
CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations.

Thomas D Kühne, Marcella Iannuzzi, Mauro Del Ben

|Mar 09, 2021
CO<sub>2</sub> adsorption on the pristine and reduced CeO<sub>2</sub> (111) surface: Geometries and vibrational spectra by first principles simulations.

Noah Baumann, Jinggang Lan, Marcella Iannuzzi

Pageof 1

Frequent Collaborators

1 joint publications

Thomas D Kühne

1 joint publications

Vladimir V Rybkin

1 joint publications

Teodoro Laino

1 joint publications

Rustam Z Khaliullin

1 joint publications

Florian Schiffmann

1 joint publications

Dorothea Golze

1 joint publications

Mohammad Hossein Bani-Hashemian

1 joint publications

Alice Shoshana Jakobovits

1 joint publications

Robert Schade

1 joint publications

Gregory K Schenter

Frequent Collaborators

1 joint publications

Thomas D Kühne

1 joint publications

Vladimir V Rybkin

1 joint publications

Teodoro Laino

1 joint publications

Rustam Z Khaliullin

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